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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 6G9U | Kd = 0.2 nM | ETK | C23 H27 F3 N2 O4 S2 | c1cc(ccc1C.... |
2 | 6G98 | Kd = 0.16 nM | ER5 | C27 H35 F3 N2 O4 S2 | c1cc(ccc1C.... |
3 | 5FL6 | Ki = 43.6 nM | Y0R | C13 H12 N4 O2 S2 | Cc1ccc(cc1.... |
4 | 6FE0 | Kd = 1.1 nM | V90 | C16 H23 F3 N2 O3 S2 | C1CCCC(CCC.... |
5 | 5FL4 | Ki = 101 nM | 9FK | C16 H12 N4 O2 S2 | c1ccc2c(c1.... |
6 | 3IAI | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
7 | 6FE1 | Kd = 0.05 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
8 | 5FL5 | Ki = 6.4 nM | 82E | C13 H12 N4 O3 S2 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3K34 | - | SUA | C13 H14 N2 O3 S3 | c1cc(ccc1N.... |
2 | 4XE1 | Ki = 77.3 nM | IL5 | C7 H6 N2 O5 S2 | c1cc2c(cc1.... |
3 | 5JG3 | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
4 | 4HT0 | Kd = 10 nM | V50 | C12 H9 F4 N3 O2 S2 | Cc1cc(nc(n.... |
5 | 1IF8 | Kd = 230 pM | SBS | C19 H21 N3 O3 S | C[C@@H](CN.... |
6 | 6ODZ | Ki = 0.7 nM | M8J | C15 H18 N4 O5 S | c1cc(ccc1N.... |
7 | 7JO2 | Ki = 2.4 nM | VFM | C6 H10 N4 O3 S2 | CC(C)C(=O).... |
8 | 1I9L | Kd = 3.3 nM | INV | C14 H13 F N2 O3 S | c1cc(ccc1C.... |
9 | 6PGX | Ki = 0.62 nM | OJ4 | C18 H24 N2 O8 S2 Te | c1cc(ccc1O.... |
10 | 3VBD | Ki = 8.6 nM | 0FZ | C16 H16 N2 O3 S | COc1ccc2c(.... |
11 | 7JNX | Ki = 63.4 nM | VGS | C7 H12 N4 O3 S2 | CC(C)(C)C(.... |
12 | 3M5E | Kd = 0.043 uM | JDR | C13 H13 Cl N4 O3 S2 | CSc1nc(c(c.... |
13 | 6BBS | - | BZ1 | C12 H21 N3 O5 S3 | CCN[C@H]1C.... |
14 | 6FJJ | Ki = 100 nM | LSA | C7 H5 N O3 S | c1ccc2c(c1.... |
15 | 3P5A | Ki = 0.95 nM | IT2 | C5 H9 N O S2 | C1COCCN1C(.... |
16 | 2AW1 | Ki = 43 nM | COX | C16 H14 N2 O3 S | Cc1c(c(no1.... |
17 | 4M2W | - | ETS | C10 H16 N2 O4 S3 | CCN[C@H]1C.... |
18 | 5J8Z | Ki = 5 nM | FC4 | C20 H16 Cl N5 O4 S2 | C[C@H](C(=.... |
19 | 4QTL | Kd = 120 nM | WWO | C15 H15 F3 N2 O5 S2 | c1ccc(cc1).... |
20 | 6QFU | Kd = 35 nM | J0K | C24 H29 Cl Ir N3 O4 S | CC12C3([Ir.... |
21 | 5BYI | Ki = 30.7 nM | 4WA | C12 H12 N4 O2 S | c1cc(ccc1N.... |
22 | 6G6T | Kd = 0.16 nM | ENN | C11 H14 Cl2 N2 O3 S | CCCCNC(=O).... |
23 | 4PYX | Kd = 730 nM | V90 | C16 H23 F3 N2 O3 S2 | C1CCCC(CCC.... |
24 | 5WLT | Ki = 155.5 nM | 86B | C12 H20 N2 O4 S | CC(C)NC[C@.... |
25 | 5FLT | Kd = 1280 uM | VJJ | C13 H10 O3 | c1ccc(cc1).... |
26 | 4RIV | - | LSA | C7 H5 N O3 S | c1ccc2c(c1.... |
27 | 5NEA | Ki = 0.05 nM | 8V8 | C10 H10 N2 O3 S | Cc1ncc(o1).... |
28 | 5EKM | Kd = 0.48 uM | TG5 | C12 H19 N3 O3 S | CCCCNCC(=O.... |
29 | 3MHC | Ki = 11 nM | ARZ | C13 H18 N4 O3 S2 | C1C2CC3CC1.... |
30 | 6T7U | Ki = 0.5 nM | X33 | C5 H8 B10 N O2 S | B1234B567B.... |
31 | 6YZJ | - | Q2Z | C4 H6 B10 N O2 S | B1234B567B.... |
32 | 5NXG | Ki = 2.8 nM | RA1 | C13 H10 Cl N3 O5 S | c1cc(ccc1N.... |
33 | 5L6K | - | QUK QVS 6H0 QUJ QVE | n/a | n/a |
34 | 6B4D | Ki = 0.78 uM | 53X | C15 H15 N3 O2 | CCn1cc(c2c.... |
35 | 3M96 | Kd = 0.06 uM | E38 | C15 H11 Br Cl N3 O3 S2 | c1cc(c(cc1.... |
36 | 4ITP | Ki = 54 nM | 1GD | C15 H16 N2 O3 S | c1ccc(cc1).... |
37 | 6CJV | Ki = 300 nM | RRY RRJ | n/a | n/a |
38 | 2GD8 | ic50 = 379 nM | PO1 | C19 H28 N2 O7 S2 | C[C@]12CC[.... |
39 | 5G03 | - | OE2 | C11 H14 Br N3 O5 S | c1cc(c(cc1.... |
40 | 7JNV | Ki = 53.8 nM | VFJ | C6 H10 N4 O3 S2 | CCCC(=O)Nc.... |
41 | 4QSI | Kd = 50 nM | EWZ | C16 H18 Cl N3 O4 S2 | CC(C)(C)C1.... |
42 | 7K6T | - | VYV | C15 H18 N4 O5 S2 | c1ccc(cc1).... |
43 | 1BNV | Kd = 1.7 nM | AL7 | C14 H17 N3 O5 S3 | CN[C@@H]1C.... |
44 | 1I9Q | Kd = 3.9 nM | IOF | C14 H11 F3 N2 O3 S | c1cc(ccc1C.... |
45 | 6IC2 | Ki = 917.4 nM | BBJ | C11 H13 Br F N7 O4 S | c1cc(c(cc1.... |
46 | 6RSZ | - | KJ5 | C8 H7 F4 N O2 S | CCc1c(c(c(.... |
47 | 2Q1Q | Ki = 7 nM | OSP | C10 H14 N2 O4 S2 | c1cc(ccc1N.... |
48 | 5LJT | Ki = 1.2 nM | A6N | C15 H16 N4 O3 S | c1ccc(cc1).... |
49 | 1G0E | - | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
50 | 4QIY | Kd = 50 nM | WWX | C22 H21 F3 N2 O6 S2 | c1ccc(cc1).... |
51 | 2OSF | Ki = 148 uM | TH0 | C6 H6 O2 S | c1cc(c(cc1.... |
52 | 5BRV | Kd = 0.96 nM | 9TH | C28 H31 Cl Ir N3 O4 S2 | C[C-]12C3(.... |
53 | 6RW1 | Ki = 1305 nM | KL5 | C15 H16 B N2 O3 S | [B-]1(c2cc.... |
54 | 6SAC | - | 47J | C6 H11 N3 | Cc1cc(n(n1.... |
55 | 6D1L | Ki = 7.6 nM | FQV | C10 H11 N O2 S Se | CC#CC[Se]c.... |
56 | 5U0E | Kd = 7.7 uM | 7R4 | C10 H9 N O S2 | c1ccc(cc1).... |
57 | 4PYY | Kd = 59 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
58 | 6XXT | Ki = 3.7 nM | O42 | C18 H19 N3 O4 S | c1ccc(cc1).... |
59 | 1G45 | Kd = 2.3 nM | FSB | C14 H13 F N2 O3 S | c1ccc(c(c1.... |
60 | 5FNK | Kd = 1005 uM | 5OO | C9 H6 Cl2 O2 | c1cc(c(cc1.... |
61 | 2NNO | Kd = 0.4 uM | M28 | C9 H11 N O4 S | c1cc(ccc1C.... |
62 | 4Q81 | Ki = 950 uM | 7MH | C7 H9 N O S | CC1=CC(=S).... |
63 | 3CA2 | - | AMS | C6 H7 Hg N2 O2 S | c1cc(c(cc1.... |
64 | 4Q7P | Ki = 48 uM | 3MH | C6 H7 N O S | CC1=CC=CN(.... |
65 | 4YYT | Kd = 418.3 nM | S2O | C8 H11 N O3 S | c1cc(ccc1C.... |
66 | 5E2K | Ki = 9.3 nM | BX4 | C12 H12 N2 O2 S | c1cc(cc(c1.... |
67 | 3M2N | - | J74 | C12 H12 Cl N5 O4 S | c1cc(ccc1C.... |
68 | 6H3Q | Ki = 47.3 nM | FMH | C10 H9 Cl N2 O2 S Se | c1cc(ccc1c.... |
69 | 3OYS | Ki = 9 nM | OYS | C14 H14 N2 O3 S | c1ccc(cc1).... |
70 | 6RVK | Ki = 439 nM | R29 | C15 H16 B N2 O4 | [B-]1(c2cc.... |
71 | 6H29 | Ki = 2.4 uM | FK8 | C8 H9 N O2 | c1ccc(cc1).... |
72 | 3RYZ | Kd = 2.4 nM | RYZ | C11 H9 F7 N2 O3 S | c1cc(ccc1C.... |
73 | 4M2V | - | BZ1 | C12 H21 N3 O5 S3 | CCN[C@H]1C.... |
74 | 3S8X | Kd = 0.07 uM | E59 | C13 H13 N3 O4 S2 | CC1=CC(=O).... |
75 | 5U0G | - | 7QY | C12 H13 N O4 S | COc1ccc(c(.... |
76 | 3K7K | Kd ~ 8.86 nM | KCS | C H2 S3 | C(=S)(S)S |
77 | 3T83 | Ki = 105 nM | MG5 | C15 H25 N O11 S | CCC(=O)O[C.... |
78 | 3BL1 | Ki = 2520 nM | BL1 | C16 H16 Cl N3 O3 S | C[C@H]1Cc2.... |
79 | 5EH7 | Kd = 330 uM | 5O5 | C8 H6 Cl2 N4 O | c1cc(c(cc1.... |
80 | 4RUY | Ki = 12.8 nM | 3W6 | C9 H13 N O3 S | CCCOc1ccc(.... |
81 | 3MHO | Kd = 0.32 uM | J43 | C12 H11 Cl N4 O3 S2 | CSc1nc(c(c.... |
82 | 6UGN | Ki = 763.5 nM | Q77 | C9 H10 N2 O3 S | Cc1cc(c2c(.... |
83 | 6YZT | Ki = 622 nM | Q3E | C5 H8 B10 N O2 S | B1234B567B.... |
84 | 4YX4 | Kd = 1073.4 nM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
85 | 4N16 | ic50 = 0.22 mM | CHD | C24 H40 O5 | C[C@H](CCC.... |
86 | 3K2F | Ki = 63 nM | NKX | C14 H20 N4 O12 S3 | CCN([C@H]1.... |
87 | 2WEO | Kd = 118 nM | FBW | C6 H6 F N O2 S | c1cc(cc(c1.... |
88 | 6UGR | Ki = 533.6 nM | Q71 | C7 H5 F N2 O3 S | c1cc2c(cc1.... |
89 | 3PO6 | - | DT9 | C12 H18 N2 O4 S | C[C@H]1c2c.... |
90 | 3V7X | Ki = 2.7 nM | D7A | C17 H20 N2 O5 S | COc1ccc(cc.... |
91 | 3IBU | Ki = 0.7 nM | O48 | C10 H23 N O3 S | CCCCCCCCCC.... |
92 | 6S03 | Ki = 17 nM | KPW | C25 H26 N6 O2 S | Cc1cccc(n1.... |
93 | 1BNT | Kd = 0.16 nM | AL2 | C13 H14 N2 O6 S3 | COc1ccc(cc.... |
94 | 4YXU | Kd = 57.4 nM | 4JE | C9 H13 N O2 S | CCCc1ccc(c.... |
95 | 4Q09 | Kd = 6.7 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
96 | 6RJJ | - | K5W | C6 H5 F2 N O2 S | c1cc(c(c(c.... |
97 | 5FLS | Kd = 905 uM | 6ZX | C10 H9 Cl O2 | C/C(=CC(=O.... |
98 | 3DCS | Ki = 11.4 nM | MZM | C5 H8 N4 O3 S2 | CC(=O)/N=C.... |
99 | 5TYA | Kd = 32.9 uM | 7QS | C9 H7 N O2 S | c1ccc(cc1).... |
100 | 7K6J | Ki = 50.8 nM | VYY | C16 H20 N4 O5 S2 | Cc1ccc(cc1.... |
101 | 3RYV | Kd = 86 nM | RYV | C9 H12 N2 O3 S | CCNC(=O)c1.... |
102 | 2WEJ | Kd = 839 nM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
103 | 6WQ4 | Ki = 368.5 nM | U7A | C29 H34 N4 O3 S | c1ccc(cc1).... |
104 | 3MYQ | Kd = 0.03 uM | E27 | C18 H13 Cl N4 O3 S2 | c1ccc2c(c1.... |
105 | 6SD7 | - | SXG | C12 H3 F9 N2 O4 S2 | c1(c(c(c(c.... |
106 | 6YO2 | - | P6Q | C5 H8 B10 N O2 S | B12B34B156.... |
107 | 4ZWZ | - | 510 | C12 H22 N2 O12 S2 | COC(=O)[C@.... |
108 | 6RZX | Ki = 7 nM | KPQ | C4 H2 F9 N O2 S | C(C(C(F)(F.... |
109 | 4Q6D | Kd = 0.0435 uM | WW3 | C12 H18 N4 O2 S | c1cc(ccc1/.... |
110 | 3V5G | Ki = 74 nM | 0F3 | C6 H9 N3 O4 S2 | c1cc(ccc1N.... |
111 | 1EOU | ic50 = 36 nM | SMS | C9 H15 N O10 S2 | CC1(O[C@H].... |
112 | 4RFC | Ki = 5.7 nM | 3O1 | C15 H24 N2 O5 S | CC(C)(C)OC.... |
113 | 6H33 | Ki = 0.6 nM | FKQ | C18 H20 N2 O4 S | c1ccc(cc1).... |
114 | 5VGY | Kd = 65.5 uM | 9AA | C12 H14 N2 O4 S | COc1ccc(c(.... |
115 | 1BN4 | Kd = 0.49 nM | AL9 | C12 H14 N2 O5 S3 | COc1ccc(cc.... |
116 | 6T9Z | Ki = 1.178 nM | MYW | C5 H8 B9 N O2 S | B123B45B16.... |
117 | 5NY3 | Ki = 33.9 nM | 9E8 | C15 H16 Cl N3 O3 S | c1cc(ccc1C.... |
118 | 1G4O | Kd = 5.6 nM | BSB | C14 H14 N2 O3 S | c1ccc(cc1).... |
119 | 6S9G | - | L1Q | C9 H9 F4 N O2 S | CCCc1c(c(c.... |
120 | 6YZO | - | Q3K | C8 H14 B10 N O2 S | B1234B567B.... |
121 | 5SZ3 | Ki = 2.5 nM | 72H | C15 H12 N2 O2 S | c1ccc2c(c1.... |
122 | 6YZQ | Ki = 870.1 nM | Q3Q | C6 H10 B10 N O2 S | B1234B567B.... |
123 | 4RUZ | - | 3W8 | C8 H11 N O3 S | CCOc1ccc(c.... |
124 | 3KIG | ic50 = 245 nM | DA4 | C8 H7 N O2 S | C#Cc1cccc(.... |
125 | 3EFI | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
126 | 5SZ5 | - | 72E | C13 H13 N O2 S | Cc1ccccc1c.... |
127 | 3N0N | Ki = 50 nM | P9B | C13 H8 F5 N3 O3 S | c1cc(ccc1N.... |
128 | 4Q06 | Kd = 22 nM | V90 | C16 H23 F3 N2 O3 S2 | C1CCCC(CCC.... |
129 | 6CEH | Ki = 36.5 nM | EZ1 | C9 H11 N O2 S Se | C=CC[Se]c1.... |
130 | 2X7T | Ki = 232 nM | WZB | C20 H30 N2 O6 S2 | CCc1cc2c(c.... |
131 | 4Z1J | Ki = 7.7 nM | 4KC | C16 H16 N2 O3 S | c1ccc2c(c1.... |
132 | 5U0F | Kd = 3.4 uM | 7R1 | C12 H13 N O3 S2 | COc1ccc(c(.... |
133 | 6OE0 | Ki = 1.2 nM | M8S | C17 H22 N4 O5 S | c1cc(ccc1N.... |
134 | 3T5Z | Ki = 8.96 uM | B09 | C7 H9 N O3 S | CONS(=O)(=.... |
135 | 4FIK | - | TH0 | C6 H6 O2 S | c1cc(c(cc1.... |
136 | 7JOB | Ki = 15.7 nM | VGV | C9 H14 N4 O3 S2 | C1CCC(CC1).... |
137 | 4E3D | ic50 = 5 mM | GTQ | C7 H6 O4 | c1cc(c(cc1.... |
138 | 1G46 | Kd = 1.6 nM | F2B | C14 H12 F2 N2 O3 S | c1cc(c(c(c.... |
139 | 5JEP | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
140 | 6R6J | Kd = 0.12 nM | JTW | C15 H15 Cl N2 O6 S2 | c1ccc(cc1).... |
141 | 6Z04 | - | Q3W | C6 H10 B9 N O2 S | B123B45B16.... |
142 | 3IBL | Ki = 14.6 nM | O59 | C8 H20 N2 O6 S2 | C(CCCCOS(=.... |
143 | 6UGQ | - | Q7A | C7 H5 Cl N2 O3 S | c1cc2c(c(c.... |
144 | 6YZL | - | Q3T | C3 H4 B10 N O2 S | B1234B567B.... |
145 | 5CLU | Ki = 78 uM | S8A | C9 H7 N O5 S | c1ccc2c(c1.... |
146 | 6RVL | Ki = 1148 nM | KKE | C14 H14 B N2 O3 S | [B+]1(c2cc.... |
147 | 5FLR | Kd = 1.35 uM | XCZ | C5 H7 N3 O2 S | Cc1ccnc(n1.... |
148 | 5EKH | Kd = 1.11 uM | 5RD | C11 H18 N2 O2 S | CCCCNCc1cc.... |
149 | 5JG5 | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
150 | 6GOT | Ki = 0.4 nM | F6W | C14 H15 N O2 S2 | c1ccc(cc1).... |
151 | 6ROB | - | KBZ | C7 H6 N2 O2 S | c1cc(ccc1C.... |
152 | 5ULN | Ki = 14.2 nM | 8JS | C13 H12 F N3 O2 S2 | c1cc(ccc1N.... |
153 | 1IF6 | - | FBU | C6 H5 F2 N O2 S | c1c(cc(cc1.... |
154 | 2O4Z | Ki = 566 nM | HSW | H4 N2 O3 S | NS(=O)(=O).... |
155 | 3T84 | Ki = 106 nM | SG6 | C8 H15 N O9 S | CC(=O)O[C@.... |
156 | 4Q78 | - | 25X | C3 H5 B10 N2 O2 S | B1234B567B.... |
157 | 7JNW | Ki = 75.1 nM | VFM | C6 H10 N4 O3 S2 | CC(C)C(=O).... |
158 | 5EH8 | Kd = 791 uM | 5O6 | C11 H12 O3 | C/C(=CC(=O.... |
159 | 6C7X | Ki = 65.2 nM | EO7 | C10 H13 Cl N6 O6 S | c1nc2c(nc(.... |
160 | 7K6Z | - | VZD | C15 H17 F N4 O5 S2 | c1cc(ccc1N.... |
161 | 5JGT | - | EVI | C3 H4 N2 O2 S2 | c1csc(n1)S.... |
162 | 2WD2 | - | MS5 | C18 H22 N2 O5 S | COc1cccc(c.... |
163 | 1CRA | - | TRI | C2 H3 N3 | c1[nH]cnn1 |
164 | 6QL1 | Kd = 15 nM | V50 | C12 H9 F4 N3 O2 S2 | Cc1cc(nc(n.... |
165 | 6MBY | - | FER | C10 H10 O4 | COc1cc(ccc.... |
166 | 5W8B | - | A57 | C17 H26 N3 | Cc1cc([n+].... |
167 | 4KNJ | Kd = 11.1 nM | E1F | C12 H10 Cl N3 O3 S2 | c1cnc(nc1).... |
168 | 1OKM | - | SAB | C11 H17 N3 O3 S | c1cc(ccc1C.... |
169 | 3RZ5 | Kd = 13 nM | RZ5 | C12 H18 N2 O3 S | CCCCCNC(=O.... |
170 | 4Q7S | Ki = 38 uM | 2YU | C6 H7 N O S | CC1=CC(=S).... |
171 | 6U4T | Ki = 78.7 nM | PX7 | C8 H8 N2 O3 S | CN1c2ccccc.... |
172 | 3N4B | Ki = 96 nM | WWZ | C13 H12 F N3 O3 S | c1cc(ccc1N.... |
173 | 3M1K | Ki = 4.1 uM | BEW | C5 H6 N O S | c1cc[n+](c.... |
174 | 1CIM | Ki = 1.52 nM | PTS | C8 H12 N2 O4 S3 | C[C@H]1C[C.... |
175 | 4MLT | Ki = 1.4 mM | TM4 | C6 H6 O2 S | CC1=C(C(=S.... |
176 | 3HKN | Ki = 4.51 uM | Z3K Z3L | n/a | n/a |
177 | 4RFD | Ki = 8.9 nM | 3O5 | C10 H16 N2 O3 S | c1cc(ccc1O.... |
178 | 2GEH | Ki = 28 uM | NHY | C H4 N2 O2 | C(=O)(N)NO |
179 | 4ZX1 | - | 5L3 | C13 H24 N2 O11 S2 | CC(=O)O[C@.... |
180 | 4E49 | Ki = 7.7 uM | RCO | C6 H6 O2 | c1cc(cc(c1.... |
181 | 6UFB | Ki = 4.4 nM | Q64 | C17 H16 N2 O4 S | CC(=O)/C(=.... |
182 | 6EDA | Ki = 0.2 uM | J3V | C14 H11 F3 N4 O6 S | c1cc(ccc1C.... |
183 | 3M3X | Kd = 0.15 uM | JS7 | C13 H15 N5 O5 S | COc1c(c(nc.... |
184 | 6B5A | - | CQS | C15 H17 N7 O3 S | c1cc(ccc1C.... |
185 | 3B4F | Ki = 7.2 nM | TUO | C15 H14 N4 O3 S | c1ccc(cc1).... |
186 | 5SZ0 | Ki = 0.8 nM | 72D | C12 H11 N O2 S | c1ccc(cc1).... |
187 | 4E3G | Ki = 10.6 uM | PHB | C7 H6 O3 | c1cc(ccc1C.... |
188 | 4M2U | Ki = 9.1 nM | ETS | C10 H16 N2 O4 S3 | CCN[C@H]1C.... |
189 | 6EEO | Ki = 0.37 uM | J6V | C14 H13 F N4 O6 S | Cc1cc(ccc1.... |
190 | 4MDL | Ki = 1.16 uM | 25Y | C3 H5 B10 N2 O2 S | B1234B567B.... |
191 | 4R5B | Ki = 185 nM | 3J4 | C10 H20 N2 O10 S2 | C1CN(C[C@@.... |
192 | 4Q99 | Ki = 0.52 uM | HT4 | C7 H8 O S | Cc1ccc(c(c.... |
193 | 6WQ5 | Ki = 57 nM | U7G | C26 H34 N4 O4 S | c1ccc(cc1).... |
194 | 5N0E | Ki = 3.6 nM | 8F3 | C22 H20 N2 O5 S | c1ccc(cc1).... |
195 | 4Z1E | Ki = 5.7 nM | DF5 | C17 H15 N2 O4 S | COc1ccc2c(.... |
196 | 5WEX | Ki = 66.3 nM | 8JS | C13 H12 F N3 O2 S2 | c1cc(ccc1N.... |
197 | 1BNQ | Kd = 0.32 nM | AL4 | C11 H19 N3 O5 S3 | CCN[C@H]1C.... |
198 | 1XPZ | Kd = 84 nM | 4TZ | C16 H14 N6 O3 S | c1cc(ccc1C.... |
199 | 6H34 | Ki = 0.5 nM | FKK | C18 H20 F N3 O3 S | c1cc(ccc1C.... |
200 | 6SBH | - | BE7 | C7 H5 Cl Hg O2 | c1cc(ccc1C.... |
201 | 6QL2 | Kd = 1.1 nM | EZL | C9 H10 N2 O3 S2 | CCOc1ccc2c.... |
202 | 4Z1N | Ki = 5.89 nM | 4KD | C18 H20 N2 O5 S | COc1cc2c(c.... |
203 | 6H2Z | Ki = 0.5 nM | FKE | C18 H20 N2 O3 S | c1ccc(cc1).... |
204 | 2NNV | Kd = 0.03 uM | M29 | C11 H15 N O4 S | CCOC(=O)CC.... |
205 | 4Q8X | Ki = 270 uM | 7FH | C6 H4 F3 N O S | C1=CC(=S)N.... |
206 | 4KV0 | Ki = 12 nM | MB7 | C13 H14 N4 O5 S2 | Cc1ccc(cc1.... |
207 | 1G1D | Kd = 0.36 nM | FSB | C14 H13 F N2 O3 S | c1ccc(c(c1.... |
208 | 4R5A | Ki = 2 nM | 3J4 | C10 H20 N2 O10 S2 | C1CN(C[C@@.... |
209 | 5SZ7 | - | 72H | C15 H12 N2 O2 S | c1ccc2c(c1.... |
210 | 4PZH | Kd < 10 nM | V13 | C8 H7 F4 N O5 S2 | C(CS(=O)(=.... |
211 | 4Q07 | Kd = 7.3 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
212 | 3N3J | Ki = 3.3 nM | WWV | C16 H19 N3 O3 S | CC(C)c1ccc.... |
213 | 3CAJ | Ki = 8 nM | EZL | C9 H10 N2 O3 S2 | CCOc1ccc2c.... |
214 | 5DOH | Kd = 32 nM | 5DU | C17 H17 F3 N2 O3 S2 | c1ccc2c(c1.... |
215 | 5TI0 | Ki = 61 uM | 7CZ | C7 H6 O S | C1=CC=C(C(.... |
216 | 6SDJ | - | J3K | C3 H9 N O | C[C@H](CN).... |
217 | 4RIU | - | 3QR | C16 H18 N4 O9 S | c1cc2c(cc1.... |
218 | 3NI5 | Ki = 28 nM | C1H | C13 H15 N5 O9 S3 | c1cc(cc(c1.... |
219 | 6YZX | Ki = 29.48 nM | Q3H | C8 H14 B9 N O2 S | B123B45B16.... |
220 | 3SBH | Kd = 0.22 uM | E65 | C14 H15 N3 O3 S2 | Cc1cc(nc(n.... |
221 | 6SAS | - | 463 | C9 H12 N2 O | CC(=O)Nc1c.... |
222 | 4QY3 | Ki = 0.15 uM | 3G1 | C14 H12 O3 S | c1ccc(cc1).... |
223 | 3D9Z | Ki = 2 nM | D9Z | C8 H6 Cl N3 O2 S2 | c1ccc(c(c1.... |
224 | 5MJN | Ki = 2.9 nM | 7O8 | C11 H10 Cl N O2 S3 | c1cc(ccc1C.... |
225 | 6RG3 | Ki = 8.1 nM | K1W | C18 H21 N3 O3 S | c1ccc(cc1).... |
226 | 6QFV | Kd = 49 nM | J0N | C24 H29 Cl Ir N3 O3 S | CC12C3([Ir.... |
227 | 4HEZ | - | 1MZ | C4 H7 N2 | Cn1cc[nH+].... |
228 | 1G52 | Kd = 0.29 nM | F2B | C14 H12 F2 N2 O3 S | c1cc(c(c(c.... |
229 | 5TY8 | Kd = 3.5 uM | 7Q1 | C9 H7 N O3 | c1ccc(cc1).... |
230 | 6YO4 | - | P8B | C5 H8 B10 N O2 S | B1234B567B.... |
231 | 4Q87 | Ki = 14 uM | 4FH | C6 H4 F3 N O S | C1=CN(C(=S.... |
232 | 1I9O | Kd = 3.8 nM | IOC | C14 H11 F3 N2 O3 S | c1cc(ccc1C.... |
233 | 5FLQ | Kd = 1080 uM | IO2 | C15 H14 O3 | c1ccc(cc1).... |
234 | 1YDD | Kd = 86 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
235 | 2POV | Ki = 75 nM | I7B | C6 H8 Cl N3 O4 S2 | c1c(c(cc(c.... |
236 | 1G4J | Kd = 2 nM | FFB | C14 H9 F5 N2 O3 S | c1cc(ccc1C.... |
237 | 6E91 | Ki = 0.08 uM | J04 | C20 H23 N2 O7 S | COc1cc(cc(.... |
238 | 3D8W | Ki = 7 nM | D8W | C8 H8 N4 O4 S3 | c1ccc(cc1).... |
239 | 5FNH | - | YIP | C8 H6 Cl N4 O | c1cc(cc(c1.... |
240 | 2WEH | Kd = 1125 nM | FB1 | C6 H6 Cl N O2 S | c1ccc(c(c1.... |
241 | 5NXP | Ki = 10.2 nM | 9DH | C15 H17 N3 O3 S | CN(CC(=O)N.... |
242 | 3M67 | Kd = 0.18 uM | E36 | C17 H14 Cl N3 O5 S2 | c1cc(c(cc1.... |
243 | 1I9M | Kd = 3.3 nM | INW | C14 H12 F2 N2 O3 S | c1cc(ccc1C.... |
244 | 5JE7 | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
245 | 2X7S | Ki = 1660 nM | WZC | C19 H27 N O5 S | C[C@]12CC[.... |
246 | 5BRU | - | 8TH | C30 H35 Cl Ir N3 O4 S2 | CCCC12C3([.... |
247 | 2FMG | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
248 | 1TTM | Kd = 45 nM | 667 | C14 H15 N O5 S | c1cc2c(cc1.... |
249 | 5NY6 | Ki = 13.5 nM | R92 | C15 H15 Cl N2 O4 S | C[C@@H](c1.... |
250 | 3MHM | Kd = 0.1 uM | J75 | C18 H18 N6 O4 S | c1ccc(cc1).... |
251 | 2POW | Ki = 63 nM | I7C | C7 H8 F3 N3 O4 S2 | c1c(c(cc(c.... |
252 | 6RM1 | - | 45L | C8 H10 N2 O | Cc1cccc(c1.... |
253 | 5TXY | Kd = 3.5 uM | 7Q1 | C9 H7 N O3 | c1ccc(cc1).... |
254 | 6YZS | Ki = 1296 nM | Q3N | C7 H12 B10 N O2 S | B1234B567B.... |
255 | 1AVN | Kd = 0.125 mM | HSM | C5 H9 N3 | c1c(nc[nH].... |
256 | 6E8P | - | HZJ | C18 H22 N2 O6 S2 | C[C@]12CCc.... |
257 | 5EHW | Kd = 1005 uM | 5OO | C9 H6 Cl2 O2 | c1cc(c(cc1.... |
258 | 1LUG | - | SUA | C13 H14 N2 O3 S3 | c1cc(ccc1N.... |
259 | 5LJQ | Ki = 1 nM | ANV | C15 H16 N4 O3 S | c1ccc(cc1).... |
260 | 4E4A | ic50 = 9 mM | JKE | C7 H6 O2 S | c1ccc(c(c1.... |
261 | 1ZE8 | Ki = 21 nM | PIU | C16 H21 N2 O2 S | Cc1cc([n+].... |
262 | 6UGZ | - | Q71 | C7 H5 F N2 O3 S | c1cc2c(cc1.... |
263 | 6S9Z | - | L2K | C11 H10 F2 N4 | c1cc(c(cc1.... |
264 | 1BNN | Kd = 0.1 nM | AL1 | C13 H14 N2 O5 S3 | COc1cccc(c.... |
265 | 6QL3 | Kd = 4.5 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
266 | 4RUX | Ki = 12 nM | 3W3 | C9 H11 N O3 S | C=CCOc1ccc.... |
267 | 5BNL | - | 2HC | C9 H8 O3 | c1ccc(c(c1.... |
268 | 1XQ0 | Kd = 454 nM | 4TR | C16 H13 Br N6 O3 S | c1cc(ccc1C.... |
269 | 2Q1B | Ki = 5950 nM | LSA | C7 H5 N O3 S | c1ccc2c(c1.... |
270 | 4Q8Y | Ki = 2300 uM | HQT | C9 H7 N O S | c1ccc2c(c1.... |
271 | 5THN | Ki = 96 uM | 7CZ | C7 H6 O S | C1=CC=C(C(.... |
272 | 4YXO | Kd = 91.4 nM | 4JC | C8 H11 N O2 S | CCc1ccc(cc.... |
273 | 5DOG | - | 5DT | C21 H19 F3 N2 O2 S2 | c1ccc(cc1).... |
274 | 3BET | ic50 = 1.5 uM | CTF | C21 H28 N2 O4 S | C[C@]12CC[.... |
275 | 6QFW | Kd = 149 nM | JR8 | C25 H31 Cl Ir N3 O4 S | CC12C3([Ir.... |
276 | 6GCY | Ki = 50 nM | 3QR | C16 H18 N4 O9 S | c1cc2c(cc1.... |
277 | 7JNR | Ki = 66.5 nM | VFG | C5 H8 N4 O3 S2 | CCC(=O)Nc1.... |
278 | 4R59 | Ki = 11 nM | 3J3 | C11 H22 N2 O10 S2 | C1CN(CCC1O.... |
279 | 5DRS | Kd = 1.1 nM | 5EF | C17 H17 F3 N2 O5 S2 | c1ccc2c(c1.... |
280 | 5FDC | Ki = 34.8 nM | 5WN | C9 H10 N2 O2 S2 | c1ccc2c(c1.... |
281 | 1YDA | Kd = 280 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
282 | 5NXI | Ki = 217.4 nM | 9DE | C12 H11 Br N2 O4 S2 | c1cc(ccc1N.... |
283 | 1CNX | Kd = 43 nM | EG2 | C13 H21 N3 O5 S | c1cc(ccc1C.... |
284 | 6RMP | - | 47S | C9 H13 N3 O | CN(C)c1ccc.... |
285 | 5LMD | - | RC4 | C16 H18 B N2 O5 | [B-]1(c2cc.... |
286 | 4BCW | - | TU0 | C8 H7 Br O4 S | c1cc(c(cc1.... |
287 | 5AML | Ki = 0.7 nM | 51J | C11 H12 N2 O6 S2 | CC#CCNS(=O.... |
288 | 4Q7V | Ki = 260 uM | 5MH | C6 H7 N O S | CC1=CN(C(=.... |
289 | 3RYX | Kd = 7.3 nM | RYX | C10 H9 F5 N2 O3 S | c1cc(ccc1C.... |
290 | 5EH5 | Kd = 1.35 uM | XCZ | C5 H7 N3 O2 S | Cc1ccnc(n1.... |
291 | 1IF9 | - | SBB | C19 H21 N3 O3 S | CC[C@H](CN.... |
292 | 5FNI | Kd = 330 uM | YIH | C8 H5 Cl2 N4 O | c1cc(c(cc1.... |
293 | 6RHJ | Ki = 2.3 nM | K4H | C19 H23 N3 O3 S | c1ccc(cc1).... |
294 | 4RN4 | Ki = 114 nM | 3T7 | C20 H24 N10 O7 S2 | c1ccc(cc1).... |
295 | 2H15 | Ki = 2135 nM | B19 | C12 H22 N2 O7 S | CC1(O[C@@H.... |
296 | 4Q8Z | - | 4HO | C6 H7 N O2 | CC1=CC(=O).... |
297 | 3T82 | Ki = 101 nM | SG4 | C10 H17 N O10 S | CC(=O)O[C@.... |
298 | 1KWR | ic50 = 0.25 uM | SG2 | C8 H8 N2 O3 S2 | CN1c2ccc(c.... |
299 | 5THI | Ki = 245 uM | 0TR | C7 H6 O2 | C1=CC=C(C(.... |
300 | 1OQ5 | ic50 = 21 nM | CEL | C17 H14 F3 N3 O2 S | Cc1ccc(cc1.... |
301 | 2HL4 | Ki = 23 nM | BO1 | C12 H18 N2 O7 S | c1cc(ccc1N.... |
302 | 2OSM | Ki = 1.05 uM | HTS | C6 H6 O S | c1ccc(c(c1.... |
303 | 3P58 | Ki = 25.4 nM | P58 | C9 H11 N S2 | CN(Cc1cccc.... |
304 | 1G53 | Kd = 0.91 nM | F6B | C14 H12 F2 N2 O3 S | c1cc(c(c(c.... |
305 | 5WG7 | - | AUD | C4 H5 N O4 S | CC1=CC(=O).... |
306 | 4MTY | - | SBW | C14 H14 N2 O4 S | c1cc(cc(c1.... |
307 | 6T4N | Kd = 14 uM | F1A | C9 H13 N O2 S | Cc1cc(c(c(.... |
308 | 3BL0 | Ki = 121 nM | BL0 | C5 H10 N4 O2 S2 | CN(C)c1nnc.... |
309 | 2QOA | Ki = 52 nM | MAJ | C9 H11 N O2 S | c1cc2c(cc1.... |
310 | 3SAX | Kd = 0.14 uM | E50 | C14 H14 Cl N3 O3 S2 | CCc1cnc(nc.... |
311 | 4HEY | - | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
312 | 1BCD | Kd = 2 nM | FMS | C H2 F3 N O2 S | C(F)(F)(F).... |
313 | 5NEE | Ki = 0.02 nM | 8V5 | C12 H13 N3 O5 S2 | c1cc(sc1c2.... |
314 | 5E2R | Ki = 86.2 nM | 520 | C19 H16 N2 O3 S | c1cc(ccc1c.... |
315 | 3RZ7 | Kd = 1.1 nM | RZ7 | C13 H9 F11 N2 O3 S | c1cc(ccc1C.... |
316 | 3MHL | Kd = 0.056 uM | J71 | C12 H13 N5 O5 S | COc1c(c(nc.... |
317 | 7K6X | - | VZ1 | C17 H22 N4 O5 S2 | Cc1cc(cc(c.... |
318 | 2FNN | Ki = 200 mM | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
319 | 3P5L | Ki = 40.8 nM | IT5 | C13 H14 N2 S2 | c1ccc(cc1).... |
320 | 5E2S | Ki = 0.98 nM | 5CX | C15 H17 N O2 S | CC(C)c1ccc.... |
321 | 4Q08 | Kd = 500 nM | V90 | C16 H23 F3 N2 O3 S2 | C1CCCC(CCC.... |
322 | 2WD3 | ic50 = 86 nM | MS4 | C16 H12 Cl N5 O3 S | c1cc(c(cc1.... |
323 | 6RVF | Ki = 730 nM | KKH | C14 H14 B N2 O4 | B1(c2cc(cc.... |
324 | 2POU | Ki = 38 nM | I7A | C6 H6 Cl2 N2 O4 S2 | c1c(cc(c(c.... |
325 | 6G3Q | Ki = 57.9 nM | FO9 | C8 H17 N7 O2 S3 | C1C(=NC(=S.... |
326 | 6UGO | - | Q77 | C9 H10 N2 O3 S | Cc1cc(c2c(.... |
327 | 4E3F | ic50 = 3 mM | GRE | C7 H6 O4 | c1cc(c(c(c.... |
328 | 3NB5 | Ki = 18 nM | R21 | C16 H17 Cl N2 O4 S | c1cc(ccc1C.... |
329 | 6EBE | Ki = 0.2 uM | J3V | C14 H11 F3 N4 O6 S | c1cc(ccc1C.... |
330 | 5AMG | Ki = 6 nM | IW7 | C12 H18 N2 O6 S2 | CCCCCNS(=O.... |
331 | 2HOC | Ki = 0.3 nM | 1CN | C8 H7 Cl F N5 O4 S3 | c1c(cc(c(c.... |
332 | 1I9N | Kd = 2.2 nM | IOA | C14 H12 F2 N2 O3 S | c1cc(ccc1C.... |
333 | 6SAY | - | L3Q | C6 H10 N2 O2 | C1CN2[C@@H.... |
334 | 6YQU | - | P92 | C7 H5 N O S | c1ccc2c(c1.... |
335 | 3DD8 | Ki = 14 nM | 2C7 | C16 H21 N O5 S2 | c1cc2c(cc1.... |
336 | 4Q9Y | Ki = 2.1 uM | M3T | C7 H8 S | Cc1cccc(c1.... |
337 | 5FLP | Kd = 631 uM | 6J5 | C8 H7 Cl N4 O | c1ccc(c(c1.... |
338 | 2WEG | Kd = 314 nM | FBV | C6 H6 F N O2 S | c1ccc(c(c1.... |
339 | 3RZ0 | Kd = 28 nM | RZ0 | C11 H16 N2 O3 S | CCCCNC(=O).... |
340 | 4ZWY | Ki = 10 nM | 4SN | C19 H32 N2 O14 S2 | CC(=O)OC[C.... |
341 | 1CNY | Kd = 14 nM | EG3 | C22 H30 N4 O6 S | c1ccc(cc1).... |
342 | 3MMF | Ki = 37 nM | D9H | C11 H13 Cl N6 O3 S | c1cc(ccc1N.... |
343 | 5TFX | Ki = 60.9 nM | 7B1 | C14 H11 N3 O4 S | c1ccc(cc1).... |
344 | 4WW6 | Kd = 0.062 nM | 3TV | C9 H9 F4 N O2 S2 | CCCSc1c(c(.... |
345 | 3SAP | Kd = 0.014 uM | E2I | C16 H19 N3 O3 S2 | CCCCc1cnc(.... |
346 | 2FOV | Kd = 28 nM | B30 | C13 H15 Cu N3 O7 S | c1cc(ccc1C.... |
347 | 2X7U | Ki = 5340 nM | WZA | C19 H27 N O5 S | C[C@]12CC[.... |
348 | 5JEG | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
349 | 2NNS | Kd = 0.9 uM | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
350 | 4Q6E | Kd = 0.667 uM | KR5 | C14 H18 N4 O3 S | Cc1cc(n(n1.... |
351 | 4JSZ | Ki = 5000 uM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
352 | 6RH4 | - | 4NZ | C6 H6 N2 O4 S | c1cc(ccc1[.... |
353 | 5FDI | Ki = 18.5 nM | 5WM | C9 H10 N2 O4 S2 | c1ccc2c(c1.... |
354 | 6YOL | - | P5T | C5 H8 B9 N O2 S | B123B45B16.... |
355 | 6WQ9 | Ki = 72.5 nM | U7J | C32 H35 N3 O5 S | c1ccc(cc1).... |
356 | 5GMN | Kd = 18.8 uM | 949 | C18 H16 F N O4 S | CC1(C(=O)C.... |
357 | 3FFP | Ki = 72.5 nM | LC1 | C10 H8 N4 O2 S2 | c1cc2c(cc1.... |
358 | 3R17 | Ki = 390 nM | 5UM | C12 H11 F N2 O3 S2 | c1cc(sc1)C.... |
359 | 5SZ2 | Ki = 2 nM | 72G | C13 H11 N O3 S | c1cc(cc(c1.... |
360 | 2HD6 | Ki = 16 nM | BOS | C13 H12 N2 O3 S2 | c1ccc(c(c1.... |
361 | 2QO8 | Ki = 3.4 nM | 3CC | C17 H26 N2 O3 S | CCCC(CCC)C.... |
362 | 5FNJ | Kd = 5150 uM | YI6 | C10 H12 O3 | CCOc1ccc(c.... |
363 | 1I91 | ic50 = 1.15 nM | INQ | C17 H19 N3 O6 S3 | c1cc(cc(c1.... |
364 | 4YXI | Kd = 318.8 nM | 4J8 | C7 H9 N O2 S | Cc1ccc(cc1.... |
365 | 6YZP | - | Q3H | C8 H14 B9 N O2 S | B123B45B16.... |
366 | 6YZN | - | Q3Q | C6 H10 B10 N O2 S | B1234B567B.... |
367 | 6YZW | Ki = 821.2 nM | Q3K | C8 H14 B10 N O2 S | B1234B567B.... |
368 | 6VJ3 | - | QYA | C12 H12 N4 O5 S | c1cc(ccc1N.... |
369 | 6UFD | Ki = 2.9 nM | Q6D | C15 H14 N2 O4 S2 | CC(=O)/C(=.... |
370 | 1BN1 | Kd = 0.46 nM | AL5 | C12 H14 N2 O4 S3 | Cc1ccc(cc1.... |
371 | 5JQT | Ki = 8180 nM | 6M9 | C7 H7 B O2 | B1(c2ccccc.... |
372 | 1G48 | Kd = 3.9 nM | F6B | C14 H12 F2 N2 O3 S | c1cc(c(c(c.... |
373 | 5SZ4 | - | 72D | C12 H11 N O2 S | c1ccc(cc1).... |
374 | 1AM6 | ic50 = 47 uM | HAE | C2 H5 N O2 | CC(=O)NO |
375 | 1OKL | Kd = 0.93 uM | MNS | C12 H14 N2 O2 S | CN(C)c1ccc.... |
376 | 3OY0 | Ki = 10.1 nM | OY0 | C15 H24 N2 O3 S | CCC[C@H](C.... |
377 | 2FOS | Kd = 27 nM | B17 | C17 H23 Cu N3 O9 S | c1cc(ccc1C.... |
378 | 6RRG | - | FBU | C6 H5 F2 N O2 S | c1c(cc(cc1.... |
379 | 2EZ7 | Kd = 43.5 uM | DHI | C6 H10 N3 O2 | c1c([nH+]c.... |
380 | 6HX5 | Ki = 2.2 uM | GXE | C6 H6 Se | c1ccc(cc1).... |
381 | 3MZC | Ki = 226 nM | S6I | C12 H17 N3 O3 S | c1cc(ccc1N.... |
382 | 5A6H | Ki = 88 nM | OE2 | C11 H14 Br N3 O5 S | c1cc(c(cc1.... |
383 | 1IF7 | Kd = 30 pM | SBR | C19 H21 N3 O3 S | C[C@H](CNC.... |
384 | 7JO1 | Ki = 2.1 nM | VFJ | C6 H10 N4 O3 S2 | CCCC(=O)Nc.... |
385 | 3DCW | Ki < 1 nM | EZL | C9 H10 N2 O3 S2 | CCOc1ccc2c.... |
386 | 6T81 | Kd = 0.77 uM | MUE | C10 H9 N O2 S | c1ccc2cc(c.... |
387 | 5JGS | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
388 | 3C7P | ic50 = 0.1 nM | POF | C24 H27 N3 O5 S | C[C@]12CC[.... |
389 | 6MBV | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
390 | 5O07 | Ki = 33.8 nM | 1VQ | C6 H10 N4 O5 S | Cc1ncc(n1C.... |
391 | 5TH4 | - | BEW | C5 H6 N O S | c1cc[n+](c.... |
392 | 6RIT | - | FBV | C6 H6 F N O2 S | c1ccc(c(c1.... |
393 | 6YZK | - | Q3N | C7 H12 B10 N O2 S | B1234B567B.... |
394 | 3DAZ | Ki = 11.8 nM | MZM | C5 H8 N4 O3 S2 | CC(=O)/N=C.... |
395 | 4PQ7 | Ki = 9.5 nM | IL3 | C11 H14 N2 O3 S | CC#CCOc1cc.... |
396 | 6SDS | Ki = 37.9 nM | L8N | C12 H12 N O5 P S | c1ccc(cc1).... |
397 | 6RNP | - | KBB | C6 H5 F2 N O2 S | c1cc(c(cc1.... |
398 | 5L3O | - | QUJ QUK 6H0 QVS QVE | n/a | n/a |
399 | 1G54 | Kd = 1.5 nM | FFB | C14 H9 F5 N2 O3 S | c1cc(ccc1C.... |
400 | 4Z1K | Ki = 4.7 nM | 4KB | C16 H16 N2 O5 S | c1cc(ccc1C.... |
401 | 4JSS | Ki = 500 uM | BEW | C5 H6 N O S | c1cc[n+](c.... |
402 | 2Q38 | Ki = 5950 nM | LSA | C7 H5 N O3 S | c1ccc2c(c1.... |
403 | 3HS4 | Ki = 10 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
404 | 6YO7 | - | P7Z | C8 H16 B10 N2 O4 S2 | B1234B567B.... |
405 | 4BF6 | Ki = 4.5 nM | X0Q | C13 H9 N5 O2 S2 | c1cc(cc(c1.... |
406 | 2HKK | Ka = 96 M^-1 | ALE | C9 H13 N O3 | CNC[C@@H](.... |
407 | 6SB7 | - | 8K2 | C4 H4 Cl N O2 S2 | c1cc(sc1S(.... |
408 | 7K6U | - | VYY | C16 H20 N4 O5 S2 | Cc1ccc(cc1.... |
409 | 2NNG | Kd = 4.4 uM | ZYX | C8 H12 N2 O2 S | c1cc(ccc1C.... |
410 | 3F8E | Ki = 59 nM | TE1 | C15 H20 O5 | CC(C)C[C@@.... |
411 | 5NYA | Ki = 415.6 nM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
412 | 5FLO | Kd = 709 uM | J4K | C8 H7 Cl N4 O | c1cc(ccc1O.... |
413 | 3DD0 | Ki < 1 nM | EZL | C9 H10 N2 O3 S2 | CCOc1ccc2c.... |
414 | 3ML2 | Ki = 9.1 nM | SU0 | C18 H16 N2 O6 S | COc1ccc2c(.... |
415 | 6RL9 | - | SAN | C6 H8 N2 O2 S | c1cc(ccc1N.... |
416 | 4M2R | Ki = 3.2 nM | BZ1 | C12 H21 N3 O5 S3 | CCN[C@H]1C.... |
417 | 4JSA | Ki = 11 uM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
418 | 3CYU | Kd = 60 nM | 0CR | C74 H74 N10 O18 S | COc1cc2c3c.... |
419 | 6EEA | Ki = 0.2 uM | J3V | C14 H11 F3 N4 O6 S | c1cc(ccc1C.... |
420 | 1IF4 | - | FBS | C6 H6 F N O2 S | c1cc(ccc1F.... |
421 | 1BNW | Kd = 0.83 nM | TPD | C9 H10 N2 O4 S4 | c1cc(sc1)C.... |
422 | 2EU3 | - | FF3 | C3 H4 F2 N4 O2 S2 | c1(nnc(s1).... |
423 | 2QP6 | Ki = 208 nM | MB1 | C6 H5 Cl N2 O4 S | c1cc(c(cc1.... |
424 | 6U4Q | Ki = 150.3 nM | PX7 | C8 H8 N2 O3 S | CN1c2ccccc.... |
425 | 5JES | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
426 | 5JDV | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
427 | 4MDM | Ki = 6.79 uM | 26E | C3 H5 B9 N2 O2 S | B123B45B16.... |
428 | 3RZ8 | Kd = 6.7 nM | RZ8 | C13 H20 N2 O3 S | CCCCCCNC(=.... |
429 | 3EFT | Ki = 12 nM | 3BS | C16 H25 Cl N4 O3 S2 | CC1(CC(CC(.... |
430 | 5U0D | Kd = 28.6 uM | 7R7 | C11 H11 N O4 S | COc1ccc(c(.... |
431 | 6YOK | - | P82 | C8 H16 B10 N2 O4 S2 | B1234B567B.... |
432 | 1CIN | Ki = 1.88 nM | MTS | C9 H14 N2 O4 S3 | C[C@H]1C[C.... |
433 | 6ECZ | Ki = 0.27 uM | J4D | C13 H6 F5 N4 O8 S | c1c(cc(c(c.... |
434 | 6RG4 | Ki = 5.4 nM | K45 | C19 H23 N3 O3 S | CN1CCN(C[C.... |
435 | 4MLX | Ki = 0.65 mM | TM7 | C6 H6 O2 S | CC1=CC(=S).... |
436 | 2FMZ | Ki = 35 nM | DPN | C9 H11 N O2 | c1ccc(cc1).... |
437 | 5SZ6 | - | 72G | C13 H11 N O3 S | c1cc(cc(c1.... |
438 | 3IEO | Ki = 331 nM | AMJ | C13 H18 N2 O3 | CC(=O)N[C@.... |
439 | 3F4X | Ki = 138 nM | KLT | C14 H11 Cl N2 O4 S | c1ccc2c(c1.... |
440 | 6YZU | Ki = 299.4 nM | Q4B | C7 H12 B9 N O2 S | B123B45B16.... |
441 | 3T5U | Ki = 5.47 uM | A09 | C6 H7 N O3 S | c1ccc(cc1).... |
442 | 1BNU | Kd = 0.2 nM | AL3 | C11 H12 N2 O5 S4 | c1cc(sc1)C.... |
443 | 1OKN | Kd = 2.3 nM | STB | C12 H19 N3 O3 S2 | c1cc(ccc1C.... |
444 | 7JO0 | Ki = 12.8 nM | VFG | C5 H8 N4 O3 S2 | CCC(=O)Nc1.... |
445 | 3DBU | Ki = 8.8 nM | D8W | C8 H8 N4 O4 S3 | c1ccc(cc1).... |
446 | 7K6L | Ki = 458.3 nM | VZD | C15 H17 F N4 O5 S2 | c1cc(ccc1N.... |
447 | 4MO8 | Ki = 10.1 nM | 2VQ | C6 H11 N5 O4 S | Cc1ncc(n1C.... |
448 | 1I9P | Kd = 3.9 nM | IOE | C14 H11 F3 N2 O3 S | c1cc(ccc1C.... |
449 | 6B59 | Ki = 8.2 nM | CQS | C15 H17 N7 O3 S | c1cc(ccc1C.... |
450 | 3N2P | Ki = 15 nM | AYX | C13 H12 N4 O5 S | c1cc(cc(c1.... |
451 | 6T4P | Kd = 2.9 uM | MHK | C10 H9 N O2 S | c1ccc2c(c1.... |
452 | 4QJM | Kd = 6.7 nM | V1F | C21 H19 F3 N2 O4 S2 | c1ccc(cc1).... |
453 | 3M40 | Kd = 0.17 uM | J45 | C10 H8 Cl N5 O4 S | c1cc(ccc1N.... |
454 | 5TY9 | Kd = 6.1 uM | 7QV | C11 H11 N O5 | COc1ccc(c(.... |
455 | 5NXV | Ki = 3.5 nM | 9E2 | C12 H12 Cl N5 O5 S | Cc1c(c(nn1.... |
456 | 5NXO | Ki = 4.9 nM | 9HK | C13 H12 N2 O4 S | c1cc(ccc1C.... |
457 | 2FOU | Kd = 80 nM | B22 | C21 H22 Cu N4 O8 S | c1cc(cc(c1.... |
458 | 4QSA | Kd = 40 nM | EWW | C13 H12 Cl N3 O4 S2 | CC1=CC(=O).... |
459 | 5FNG | Kd = 1105 uM | YIE | C8 H6 Cl N4 | c1cc(ccc1C.... |
460 | 6QFX | Kd = 20 nM | JR3 | C24 H28 Cl Ir N4 O5 S | CC12C3([Ir.... |
461 | 4BF1 | Ki = 2.4 nM | 9FK | C16 H12 N4 O2 S2 | c1ccc2c(c1.... |
462 | 6C7W | Ki = 3410 nM | LMS | C10 H14 N6 O6 S | c1nc(c2c(n.... |
463 | 4ZWI | - | 62I | C13 H24 N2 O11 S2 | CC(=O)OC[C.... |
464 | 1BN3 | Kd = 0.13 nM | AL6 | C13 H12 N2 O5 S3 | COc1cccc(c.... |
465 | 4Q90 | Ki = 7 mM | 4H2 | C6 H7 N S | CC1=CC(=S).... |
466 | 5EHV | Kd = 826 uM | 5ON | C18 H16 O5 | c1cc(cc(c1.... |
467 | 4MDG | Ki = 0.7 uM | 25X | C3 H5 B10 N2 O2 S | B1234B567B.... |
468 | 6YZR | Ki = 333 nM | Q3W | C6 H10 B9 N O2 S | B123B45B16.... |
469 | 5JQ0 | - | 6M4 | C7 H8 B O3 | [B-]1(c2cc.... |
470 | 6RS5 | - | KGK | C7 H5 F4 N O2 S | Cc1c(c(c(c.... |
471 | 6UX1 | ic50 = 6.6 mM | SAL | C7 H6 O3 | c1ccc(c(c1.... |
472 | 3MNU | Ki = 48 nM | BON | C12 H19 B N2 O4 S | B1(OC(C(O1.... |
473 | 2ABE | Ki = 113 uM | HIS | C6 H10 N3 O2 | c1c([nH+]c.... |
474 | 4HEW | - | 2MZ | C4 H6 N2 | Cc1[nH]ccn.... |
475 | 5G01 | - | OE2 | C11 H14 Br N3 O5 S | c1cc(c(cc1.... |
476 | 3RYY | Kd = 38 nM | RYY | C10 H14 N2 O3 S | CCCNC(=O)c.... |
477 | 5NXW | Ki = 57.4 nM | RA9 | C10 H11 N5 O3 S3 | c1cc(ccc1N.... |
478 | 6RQI | - | FBW | C6 H6 F N O2 S | c1cc(cc(c1.... |
479 | 3SBI | Kd = 0.017 uM | E90 | C12 H11 N3 O3 S2 | c1cnc(nc1).... |
480 | 6YOI | - | P7H | C8 H16 B10 N2 O4 S2 | B1234B567B.... |
481 | 5FNL | Kd = 826 uM | 5ON | C18 H16 O5 | c1cc(cc(c1.... |
482 | 3RZ1 | Kd = 1.8 nM | RZ1 | C12 H9 F9 N2 O3 S | c1cc(ccc1C.... |
483 | 4QSB | Kd = 1300 nM | EWY | C13 H13 N3 O4 S2 | CC1=CC(=O).... |
484 | 1YDB | Kd = 5.8 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
485 | 5EKJ | Kd = 1 uM | TG4 | C14 H23 N3 O3 S | CCCCNCC(=O.... |
486 | 4Q7W | Ki = 2300 uM | 6MH | C6 H7 N O S | CC1=CC=CC(.... |
487 | 2EU2 | - | 5DS | C5 H11 N5 O2 S2 | CN(C)c1nnc.... |
488 | 4CQ0 | - | SXS | C7 H6 N2 O3 S | c1cc2c(cc1.... |
489 | 1MOO | - | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
490 | 7K6K | Ki = 474.5 nM | VZ1 | C17 H22 N4 O5 S2 | Cc1cc(cc(c.... |
491 | 3DC3 | Ki = 4.9 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
492 | 3MNA | Ki = 41 nM | DWH | C12 H13 Cl N6 O4 S | COC(=O)CNc.... |
493 | 6UH0 | Ki = 853.1 nM | PX7 | C8 H8 N2 O3 S | CN1c2ccccc.... |
494 | 1CNW | Kd = 19 nM | EG1 | C15 H24 N4 O6 S | c1cc(ccc1C.... |
495 | 7JNZ | Ki = 62.8 nM | VGV | C9 H14 N4 O3 S2 | C1CCC(CC1).... |
496 | 6UGP | Ki = 685.5 nM | Q7A | C7 H5 Cl N2 O3 S | c1cc2c(c(c.... |
497 | 4Z0Q | Ki = 6.8 nM | 4K9 | C16 H16 N2 O3 S | c1ccc2c(c1.... |
498 | 6ROE | - | FBT | C6 H5 F2 N O2 S | c1cc(c(c(c.... |
499 | 6YZV | Ki = 21 nM | Q2Z | C4 H6 B10 N O2 S | B1234B567B.... |
500 | 6YQT | - | P9E | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
501 | 4LP6 | - | Q4I | C68 H64 N12 O16 S | CC(C)COc1c.... |
502 | 5THJ | Ki = 1350 uM | 0TR | C7 H6 O2 | C1=CC=C(C(.... |
503 | 6YZM | - | Q4B | C7 H12 B9 N O2 S | B123B45B16.... |
504 | 2HNC | Ki = 60 nM | 1SA | C2 H4 N4 O2 S2 | c1(nnc(s1).... |
505 | 6WQ7 | Ki = 30.4 nM | U6V | C28 H35 F N4 O3 S | c1ccc(cc1).... |
506 | 6RKN | - | FBS | C6 H6 F N O2 S | c1cc(ccc1F.... |
507 | 6OE1 | Ki = 3.1 nM | M8V | C16 H20 N4 O5 S | c1cc(ccc1N.... |
508 | 6RHK | Ki = 0.6 nM | K4B | C17 H19 N3 O3 S | c1ccc(cc1).... |
509 | 3S9T | Kd = 0.22 uM | E49 | C14 H14 Cl N3 O3 S2 | Cc1cc(nc(n.... |
510 | 4ILX | Ki = 233 nM | 1EZ | C18 H24 N2 O3 S | c1cc(ccc1N.... |
511 | 5AMD | Ki = 2.8 nM | 45I | C15 H16 N2 O6 S2 | c1ccc(cc1).... |
512 | 6R6F | - | EA3 | C15 H21 Cl N2 O4 S2 | c1c(c(cc(c.... |
513 | 3P4V | Ki = 8 uM | PMX | C14 H14 Cl N O6 | COC(=O)/C=.... |
514 | 7JOC | ic50 = 6.4 nM | ARZ | C13 H18 N4 O3 S2 | C1C2CC3CC1.... |
515 | 3IBI | Ki = 2.6 nM | BOW | C8 H19 N O3 S | CCCCCCCCOS.... |
516 | 5JEH | - | EVF | C7 H6 N2 O2 S2 | c1ccc2c(c1.... |
517 | 2H4N | Kd = 0.002 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
518 | 6EQU | Ki = 419 nM | BVE | C31 H27 N2 O2 S | c1ccc(cc1).... |
519 | 5TY1 | Kd = 3.5 uM | 7QV | C11 H11 N O5 | COc1ccc(c(.... |
520 | 7K6I | Ki = 444.5 nM | VYV | C15 H18 N4 O5 S2 | c1ccc(cc1).... |
521 | 6RRI | - | KFH | C6 H3 F4 N O2 S | c1c(c(c(c(.... |
522 | 5FNM | Kd = 791 uM | 5O6 | C11 H12 O3 | C/C(=CC(=O.... |
523 | 1ZSB | Kd = 250 mM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
524 | 6E8X | Ki = 0.07 uM | J0A | C19 H22 N2 O7 S2 | C[C@]12C=C.... |
525 | 3OYQ | Ki = 10.3 nM | OYQ | C13 H20 N2 O3 S | CC[C@H](C).... |
526 | 3T85 | Ki = 11.3 nM | SG7 | C10 H17 N O10 S | CC(=O)O[C@.... |
527 | 1IF5 | - | FBT | C6 H5 F2 N O2 S | c1cc(c(c(c.... |
528 | 3IBN | Ki = 24.5 nM | O60 | C10 H24 N2 O6 S2 | C(CCCCCOS(.... |
529 | 4KAP | - | 1QV | C7 H2 F4 N2 O2 S2 | c12c(c(c(c.... |
530 | 5E28 | Ki = 12.3 nM | BC5 | C12 H12 N2 O2 S | c1cc(ccc1c.... |
531 | 5WGP | - | AUD | C4 H5 N O4 S | CC1=CC(=O).... |
532 | 5LVS | - | QUJ QUK 6H0 QVS QVE | n/a | n/a |
533 | 5SZ1 | Ki = 1.2 nM | 72E | C13 H13 N O2 S | Cc1ccccc1c.... |
534 | 1I90 | ic50 = 1.28 nM | INM | C10 H15 N3 O5 S3 | COCCC[N@]1.... |
535 | 6D1M | Ki = 6.3 nM | FQY | C12 H17 N O2 S Se | c1cc(ccc1S.... |
536 | 5NY1 | Ki = 366.7 nM | 9E5 | C19 H20 N2 O4 S | Cc1ccc2c(c.... |
537 | 4IWZ | Ki = 51 nM | 1GO | C8 H8 N4 O3 S3 | c1cc(sc1)C.... |
538 | 4E3H | Ki = 90 nM | HQE | C6 H6 O2 | c1cc(ccc1O.... |
539 | 1I8Z | ic50 = 1.27 nM | INL | C18 H21 N3 O6 S3 | COc1cccc(c.... |
540 | 6E92 | Ki = 0.002 uM | HZY | C19 H21 N2 O6 S | COc1cc(cc(.... |
541 | 2F14 | Kd = 0.64 nM | FL1 | C29 H23 N3 O7 S2 | c1cc(ccc1C.... |
542 | 6UFC | Ki = 0.45 nM | Q6A | C18 H18 N2 O5 S | CC(=O)/C(=.... |
543 | 3R16 | Ki = 50 nM | 5UN | C12 H12 N2 O3 S2 | c1cc(sc1)C.... |
544 | 6EEH | Ki = 0.29 uM | J4D | C13 H6 F5 N4 O8 S | c1c(cc(c(c.... |
545 | 1CIL | Ki = 0.372 nM | ETS | C10 H16 N2 O4 S3 | CCN[C@H]1C.... |
546 | 5WLV | Ki = 3 nM | 42G | C21 H29 N3 O5 S | CC(C)NC[C@.... |
547 | 4ZX0 | - | 5L2 | C14 H24 N2 O13 S2 | CC(=O)OC[C.... |
548 | 6WQ8 | Ki = 2.4 nM | U77 | C26 H31 N3 O6 S | c1ccc(cc1).... |
549 | 3MHI | Kd = 0.2 uM | J90 | C11 H11 N5 O5 S | c1cc(ccc1C.... |
550 | 3DCC | Ki = 1.1 nM | D9Z | C8 H6 Cl N3 O2 S2 | c1ccc(c(c1.... |
551 | 6UZU | Ki = 7 nM | 6LU | C15 H17 N3 O3 S | Cc1cc(cc(c.... |
552 | 4KNI | Kd = 16.7 nM | E1E | C14 H14 Cl N3 O3 S2 | Cc1cc(nc(n.... |
553 | 3IGP | Ki = 32.8 nM | DT7 | C11 H16 N2 O4 S | COc1cc2c(c.... |
554 | 3RYJ | Kd = 16 nM | RYJ | C9 H9 F3 N2 O3 S | c1cc(ccc1C.... |
555 | 2FOQ | Kd = 235 nM | B15 | C20 H21 Cu N3 O7 S | c1cc(ccc1C.... |
556 | 4ZWX | Ki = 2 nM | 5KZ | C19 H32 N2 O14 S2 | CC(=O)OC[C.... |
557 | 6T4O | Kd = 18 uM | MJ2 | C8 H11 N O2 S | Cc1cc(cc(c.... |
558 | 5N0D | Ki = 3.3 nM | 8F2 | C22 H20 N2 O5 S | c1ccc(cc1).... |
559 | 4Q83 | Ki = 64 uM | 3FH | C6 H4 F3 N O S | C1=CN(C(=S.... |
560 | 7JO3 | Ki = 8.2 nM | VGS | C7 H12 N4 O3 S2 | CC(C)(C)C(.... |
561 | 4QJX | Kd = 52 nM | WWO | C15 H15 F3 N2 O5 S2 | c1ccc(cc1).... |
562 | 4HU1 | Kd = 29 nM | V13 | C8 H7 F4 N O5 S2 | C(CS(=O)(=.... |
563 | 6G5U | Kd = 6.3 nM | ENN | C11 H14 Cl2 N2 O3 S | CCCCNC(=O).... |
564 | 4KNN | Kd = 16.7 nM | E1F | C12 H10 Cl N3 O3 S2 | c1cnc(nc1).... |
565 | 4KNM | Kd = 10 nM | E1E | C14 H14 Cl N3 O3 S2 | Cc1cc(nc(n.... |
566 | 4QIZ | Kd = 7.1 nM | WWX | C22 H21 F3 N2 O6 S2 | c1ccc(cc1).... |
567 | 5E2N | Kd = 0.29 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
568 | 3CZV | Ki = 16 nM | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
569 | 4QJP | Kd = 2.5 nM | V1F | C21 H19 F3 N2 O4 S2 | c1ccc(cc1).... |
570 | 4QSJ | Kd = 5 nM | EWW | C13 H12 Cl N3 O4 S2 | CC1=CC(=O).... |
571 | 4COQ | - | SAN | C6 H8 N2 O2 S | c1cc(ccc1N.... |
572 | 4UOV | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
573 | 5TT3 | Ki = 193 nM | EZL | C9 H10 N2 O3 S2 | CCOc1ccc2c.... |
574 | 5TUO | Ki = 323 nM | 1SA | C2 H4 N4 O2 S2 | c1(nnc(s1).... |
575 | 6Y00 | Ki = 653.8 nM | O5T | C16 H19 Br N4 O4 S | c1cc(cc(c1.... |
576 | 6EVR | Ki = 8.8 nM | BZW | C20 H23 N3 O4 S | CC(=O)N1CC.... |
577 | 2NMX | Kd = 2.7 uM | M25 | C10 H14 N2 O3 S | CC(=O)NCCc.... |
578 | 6HWZ | Ki = 6.7 uM | GXE | C6 H6 Se | c1ccc(cc1).... |
579 | 6FAF | Ki = 306.1 nM | D3B | C15 H17 N3 O4 S | Cc1ccc(c(c.... |
580 | 1BZM | - | MZM | C5 H8 N4 O3 S2 | CC(=O)/N=C.... |
581 | 2FW4 | Kd = 30 nM | HIS | C6 H10 N3 O2 | c1c([nH+]c.... |
582 | 6F3B | Ki = 273.3 nM | CJK | C15 H17 N3 O4 S | Cc1ccc(cc1.... |
583 | 3LXE | Ki = 250 nM | TOR | C12 H21 N O8 S | CC1(O[C@@H.... |
584 | 6XZS | Ki = 724.7 nM | O5K | C16 H19 F N4 O3 S | c1cc(ccc1C.... |
585 | 2IT4 | Ki = 24.1 mM | PPF | C H3 O5 P | C(=O)(O)P(.... |
586 | 2NN7 | Kd = 0.3 uM | M29 | C11 H15 N O4 S | CCOC(=O)CC.... |
587 | 5E2M | Kd = 59 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
588 | 4WR7 | Kd = 0.002 nM | 3TV | C9 H9 F4 N O2 S2 | CCCSc1c(c(.... |
589 | 6XZY | Ki = 728 nM | O5N | C16 H19 F N4 O3 S | c1ccc(c(c1.... |
590 | 6G3V | Ki = 922.4 nM | FO9 | C8 H17 N7 O2 S3 | C1C(=NC(=S.... |
591 | 6XZO | Ki = 138.4 nM | O55 | C16 H19 Br N4 O4 S | c1cc(ccc1N.... |
592 | 4WUQ | - | 3UG | C11 H12 F4 N2 O2 S | C1CCN(CC1).... |
593 | 6XZX | Ki = 928.3 nM | O5H | C16 H20 N4 O3 S | c1ccc(cc1).... |
594 | 6XZE | Ki = 24.6 nM | O4Z | C16 H19 F N4 O3 S | c1ccc(c(c1.... |
595 | 1CZM | - | AAS | C8 H10 Hg N2 O4 S | CC(=O)O[Hg.... |
596 | 2NN1 | Kd = 1.5 uM | M28 | C9 H11 N O4 S | c1cc(ccc1C.... |
597 | 4WUP | Kd = 0.15 nM | 3UF | C8 H11 N O3 S2 | c1cc(ccc1S.... |
598 | 2FOY | Kd = 120 nM | B30 | C13 H15 Cu N3 O7 S | c1cc(ccc1C.... |
599 | 5GMM | Kd = 29.1 uM | 949 | C18 H16 F N O4 S | CC1(C(=O)C.... |
600 | 1AZM | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
601 | 6EX1 | Ki = 49.4 nM | N19 | C18 H21 N3 O3 S | c1ccc(cc1).... |
602 | 4X5S | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
603 | 4QJ0 | Kd = 48 nM | WWX | C22 H21 F3 N2 O6 S2 | c1ccc(cc1).... |
604 | 6T5P | Kd = 5.9 uM | VD8 | C14 H23 N O2 S | CC(C)(C)c1.... |
605 | 4QJO | Kd = 40 nM | V1F | C21 H19 F3 N2 O4 S2 | c1ccc(cc1).... |
606 | 4KP8 | Kd = 3330 nM | E1G | C12 H11 N3 O3 S2 | c1cc(cc(c1.... |
607 | 4KP5 | Kd = 833 nM | E1F | C12 H10 Cl N3 O3 S2 | c1cnc(nc1).... |
608 | 6R71 | Kd = 0.12 nM | JTW | C15 H15 Cl N2 O6 S2 | c1ccc(cc1).... |
609 | 6G7A | Kd = 0.041 nM | EOQ | C16 H18 Cl N3 O4 S | c1ccc(cc1).... |
610 | 1JD0 | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
611 | 4QJW | Kd = 16 nM | WWO | C15 H15 F3 N2 O5 S2 | c1ccc(cc1).... |
612 | 4HT2 | Kd = 290 nM | V50 | C12 H9 F4 N3 O2 S2 | Cc1cc(nc(n.... |
613 | 5MSB | Kd = 35 nM | V13 | C8 H7 F4 N O5 S2 | C(CS(=O)(=.... |
614 | 6R6Y | Kd = 0.008 nM | EA3 | C15 H21 Cl N2 O4 S2 | c1c(c(cc(c.... |
615 | 4WW8 | Kd = 0.067 nM | VD9 | C9 H13 N O2 S2 | CCCSc1ccc(.... |
616 | 6G5L | Kd = 0.019 nM | EM5 | C15 H22 Cl N3 O4 S | c1c(c(cc(c.... |
617 | 4Q0L | Kd = 20 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
618 | 6T5Q | Kd = 0.83 uM | MKQ | C18 H15 N O2 S | c1ccc(cc1).... |
619 | 6H36 | Ki = 0.45 nM | FKE | C18 H20 N2 O3 S | c1ccc(cc1).... |
620 | 6H37 | Ki = 2.6 nM | FKQ | C18 H20 N2 O4 S | c1ccc(cc1).... |
621 | 6H38 | Ki = 7.8 nM | FKK | C18 H20 F N3 O3 S | c1cc(ccc1C.... |
622 | 3ML5 | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
623 | 6SDT | Ki = 16.1 nM | L8N | C12 H12 N O5 P S | c1ccc(cc1).... |
624 | 6G9U | Kd = 0.2 nM | ETK | C23 H27 F3 N2 O4 S2 | c1cc(ccc1C.... |
625 | 6G98 | Kd = 0.16 nM | ER5 | C27 H35 F3 N2 O4 S2 | c1cc(ccc1C.... |
626 | 5FL6 | Ki = 43.6 nM | Y0R | C13 H12 N4 O2 S2 | Cc1ccc(cc1.... |
627 | 6FE0 | Kd = 1.1 nM | V90 | C16 H23 F3 N2 O3 S2 | C1CCCC(CCC.... |
628 | 5FL4 | Ki = 101 nM | 9FK | C16 H12 N4 O2 S2 | c1ccc2c(c1.... |
629 | 3IAI | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
630 | 6FE1 | Kd = 0.05 nM | V14 | C16 H23 F3 N2 O5 S2 | C1CCCC(CCC.... |
631 | 5FL5 | Ki = 6.4 nM | 82E | C13 H12 N4 O3 S2 | COc1ccc(cc.... |
632 | 1FLJ | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
633 | 1DMY | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
634 | 3F7B | ic50 = 64 nM | AG5 | C20 H19 N3 O3 S2 | c1ccc(cc1).... |
635 | 4LU3 | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
636 | 5CJF | Ki = 0.26 nM | 520 | C19 H16 N2 O3 S | c1cc(ccc1c.... |
637 | 6IM3 | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
638 | 4G7A | - | AZM | C4 H6 N4 O3 S2 | CC(=O)Nc1n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S0E | 0.9724 |
2 | P9E | 0.9723 |
3 | EUE | 0.9718 |
4 | 4CM | 0.9689 |
5 | MZM | 0.9669 |
6 | STX | 0.9642 |
7 | MAJ | 0.9593 |
8 | SKF | 0.9562 |
9 | 3W8 | 0.9529 |
10 | ATX | 0.9500 |
11 | AM4 | 0.9487 |
12 | 4NZ | 0.9483 |
13 | RYV | 0.9465 |
14 | AES | 0.9448 |
15 | 4JE | 0.9446 |
16 | 6KT | 0.9442 |
17 | DA4 | 0.9434 |
18 | CSN | 0.9414 |
19 | SSC | 0.9407 |
20 | 5GT | 0.9390 |
21 | 4NP | 0.9384 |
22 | U7E | 0.9380 |
23 | 2O8 | 0.9358 |
24 | N4E | 0.9351 |
25 | 2O6 | 0.9344 |
26 | IOS | 0.9344 |
27 | SNO | 0.9341 |
28 | 0F3 | 0.9336 |
29 | PNP | 0.9332 |
30 | 4MB | 0.9325 |
31 | QBP | 0.9324 |
32 | 7O4 | 0.9322 |
33 | 4JC | 0.9310 |
34 | UA5 | 0.9309 |
35 | 657 | 0.9302 |
36 | ZEC | 0.9302 |
37 | 88L | 0.9300 |
38 | 3VX | 0.9294 |
39 | RNO | 0.9287 |
40 | ZYX | 0.9285 |
41 | IAC | 0.9277 |
42 | DER | 0.9271 |
43 | 5LD | 0.9256 |
44 | 5DL | 0.9256 |
45 | 3VS | 0.9255 |
46 | GGB | 0.9254 |
47 | RD4 | 0.9247 |
48 | Z13 | 0.9245 |
49 | GO2 | 0.9243 |
50 | K4V | 0.9241 |
51 | A7H | 0.9231 |
52 | PDC | 0.9231 |
53 | HPO | 0.9226 |
54 | 4I8 | 0.9225 |
55 | 2J3 | 0.9218 |
56 | OW7 | 0.9214 |
57 | N91 | 0.9214 |
58 | A98 | 0.9214 |
59 | 4NS | 0.9214 |
60 | JB8 | 0.9213 |
61 | JDN | 0.9212 |
62 | VM1 | 0.9211 |
63 | M4S | 0.9210 |
64 | PRO GLY | 0.9208 |
65 | VD9 | 0.9207 |
66 | 4TU | 0.9201 |
67 | 2FX | 0.9199 |
68 | PD2 | 0.9196 |
69 | 7MW | 0.9194 |
70 | VC3 | 0.9194 |
71 | EN1 | 0.9191 |
72 | FBF | 0.9190 |
73 | RKV | 0.9189 |
74 | EYV | 0.9186 |
75 | LEL | 0.9185 |
76 | 3W3 | 0.9181 |
77 | 3W6 | 0.9181 |
78 | 0JD | 0.9181 |
79 | 4NB | 0.9180 |
80 | BL0 | 0.9176 |
81 | EVF | 0.9174 |
82 | A7N | 0.9173 |
83 | 5RP | 0.9153 |
84 | IPE | 0.9151 |
85 | PUE | 0.9147 |
86 | 9ZE | 0.9147 |
87 | 1F1 | 0.9147 |
88 | TSR | 0.9146 |
89 | 7UC | 0.9145 |
90 | HSA | 0.9145 |
91 | 6NT | 0.9140 |
92 | MB1 | 0.9140 |
93 | 9NB | 0.9139 |
94 | 8G0 | 0.9137 |
95 | DX5 | 0.9137 |
96 | F02 | 0.9136 |
97 | 6NI | 0.9131 |
98 | JAW | 0.9124 |
99 | GWM | 0.9123 |
100 | LQ2 | 0.9123 |
101 | 8NB | 0.9122 |
102 | 49P | 0.9115 |
103 | D1G | 0.9111 |
104 | 15N | 0.9107 |
105 | EWG | 0.9102 |
106 | LUQ | 0.9100 |
107 | E1T | 0.9099 |
108 | CWJ | 0.9099 |
109 | G14 | 0.9098 |
110 | 5NI | 0.9097 |
111 | 5F5 | 0.9097 |
112 | R5P | 0.9090 |
113 | R52 | 0.9090 |
114 | 60L | 0.9088 |
115 | SLS | 0.9087 |
116 | 94W | 0.9086 |
117 | 3NY | 0.9086 |
118 | QIV | 0.9084 |
119 | RES | 0.9084 |
120 | ZZA | 0.9081 |
121 | QMS | 0.9078 |
122 | 3VQ | 0.9076 |
123 | BGT | 0.9076 |
124 | TZP | 0.9075 |
125 | 1L5 | 0.9074 |
126 | R1P | 0.9074 |
127 | DEZ | 0.9074 |
128 | 492 | 0.9073 |
129 | 0HO | 0.9073 |
130 | XCG | 0.9072 |
131 | MD6 | 0.9072 |
132 | 3A9 | 0.9071 |
133 | A5Q | 0.9071 |
134 | PTB | 0.9070 |
135 | 2ZM | 0.9070 |
136 | 3MB | 0.9067 |
137 | OVM | 0.9065 |
138 | DVQ | 0.9065 |
139 | A5P | 0.9061 |
140 | OVP | 0.9060 |
141 | 5LA | 0.9058 |
142 | 0HN | 0.9058 |
143 | M5H | 0.9055 |
144 | N1E | 0.9055 |
145 | 363 | 0.9054 |
146 | 36M | 0.9053 |
147 | EUH | 0.9050 |
148 | GCO | 0.9050 |
149 | 92P | 0.9048 |
150 | 2HU | 0.9047 |
151 | E4P | 0.9047 |
152 | 6MW | 0.9045 |
153 | CIR | 0.9044 |
154 | GVA | 0.9043 |
155 | LR8 | 0.9042 |
156 | 4TP | 0.9040 |
157 | 428 | 0.9040 |
158 | IPR | 0.9037 |
159 | ODK | 0.9037 |
160 | HJ7 | 0.9036 |
161 | M78 | 0.9033 |
162 | N2M | 0.9033 |
163 | DZA | 0.9032 |
164 | KBZ | 0.9030 |
165 | RA7 | 0.9026 |
166 | 6ZX | 0.9025 |
167 | M5E | 0.9024 |
168 | OW4 | 0.9023 |
169 | LGT | 0.9021 |
170 | TYR | 0.9020 |
171 | 9R5 | 0.9020 |
172 | 5SP | 0.9018 |
173 | KPC | 0.9018 |
174 | ABI | 0.9017 |
175 | AMH | 0.9016 |
176 | HA5 | 0.9015 |
177 | PFF | 0.9014 |
178 | FWB | 0.9013 |
179 | S7A | 0.9011 |
180 | BQ2 | 0.9009 |
181 | MNP | 0.9009 |
182 | ILO | 0.9008 |
183 | ICO | 0.9004 |
184 | XI7 | 0.9004 |
185 | C2Y | 0.9004 |
186 | 5H6 | 0.9003 |
187 | KLE | 0.9002 |
188 | 4BY | 0.8999 |
189 | DMA | 0.8999 |
190 | DAR | 0.8999 |
191 | ARG | 0.8999 |
192 | 2JJ | 0.8996 |
193 | MVH | 0.8996 |
194 | AGP | 0.8994 |
195 | MS0 | 0.8994 |
196 | AHN | 0.8992 |
197 | 5TZ | 0.8992 |
198 | BZJ | 0.8990 |
199 | 7FU | 0.8989 |
200 | 1FE | 0.8988 |
201 | 3R4 | 0.8988 |
202 | 6C5 | 0.8986 |
203 | PML | 0.8984 |
204 | PNZ | 0.8984 |
205 | Q06 | 0.8980 |
206 | MKN | 0.8978 |
207 | 6C9 | 0.8977 |
208 | MLY | 0.8977 |
209 | 27B | 0.8973 |
210 | XRX | 0.8970 |
211 | 1X4 | 0.8969 |
212 | OCA | 0.8967 |
213 | C26 | 0.8967 |
214 | PA5 | 0.8966 |
215 | 1PS | 0.8966 |
216 | W81 | 0.8965 |
217 | 3ZB | 0.8964 |
218 | Y3L | 0.8957 |
219 | SRO | 0.8957 |
220 | ANN | 0.8956 |
221 | 3XR | 0.8956 |
222 | JMG | 0.8956 |
223 | HG3 | 0.8956 |
224 | TEG | 0.8956 |
225 | D2G | 0.8956 |
226 | F4K | 0.8956 |
227 | 3AE | 0.8955 |
228 | 2UZ | 0.8954 |
229 | 5XC | 0.8954 |
230 | 9FE | 0.8951 |
231 | JCZ | 0.8951 |
232 | AJ1 | 0.8950 |
233 | 5F8 | 0.8947 |
234 | LR5 | 0.8946 |
235 | 2BX | 0.8946 |
236 | TMG | 0.8946 |
237 | 2QC | 0.8945 |
238 | 4BL | 0.8945 |
239 | D9Z | 0.8943 |
240 | TRP | 0.8943 |
241 | 4BZ | 0.8942 |
242 | C82 | 0.8940 |
243 | DXP | 0.8938 |
244 | NPI | 0.8935 |
245 | 5OB | 0.8935 |
246 | I3E | 0.8934 |
247 | RGP | 0.8934 |
248 | EE8 | 0.8933 |
249 | L1T | 0.8932 |
250 | M4E | 0.8931 |
251 | 5RN | 0.8931 |
252 | N2I | 0.8929 |
253 | XEN | 0.8929 |
254 | PEY | 0.8928 |
255 | S7J | 0.8927 |
256 | 9BF | 0.8923 |
257 | 67X | 0.8923 |
258 | EZ1 | 0.8922 |
259 | HNT | 0.8922 |
260 | 549 | 0.8922 |
261 | DNF | 0.8920 |
262 | 795 | 0.8919 |
263 | HC4 | 0.8917 |
264 | NK5 | 0.8916 |
265 | IOP | 0.8916 |
266 | 6FG | 0.8915 |
267 | 6C4 | 0.8915 |
268 | 3VW | 0.8915 |
269 | AVA | 0.8914 |
270 | KYA | 0.8912 |
271 | 8V8 | 0.8910 |
272 | EV2 | 0.8910 |
273 | GJP | 0.8908 |
274 | TYL | 0.8908 |
275 | KDG | 0.8907 |
276 | 5TO | 0.8906 |
277 | P93 | 0.8906 |
278 | FCD | 0.8904 |
279 | 5XB | 0.8904 |
280 | SEP | 0.8903 |
281 | DED | 0.8903 |
282 | DRG | 0.8903 |
283 | 1HN | 0.8903 |
284 | 5GV | 0.8897 |
285 | BSA | 0.8896 |
286 | BVA | 0.8896 |
287 | D3G | 0.8895 |
288 | 4RU | 0.8895 |
289 | 5DS | 0.8892 |
290 | A6W | 0.8890 |
291 | 5O6 | 0.8889 |
292 | M1T | 0.8889 |
293 | YIE | 0.8889 |
294 | ZYQ | 0.8888 |
295 | NPX | 0.8888 |
296 | JBZ | 0.8887 |
297 | UN1 | 0.8886 |
298 | AKG | 0.8886 |
299 | LX1 | 0.8882 |
300 | 0NX | 0.8882 |
301 | ZHA | 0.8881 |
302 | 8D6 | 0.8879 |
303 | GZ2 | 0.8878 |
304 | M2K | 0.8878 |
305 | 3PG | 0.8878 |
306 | OGA | 0.8877 |
307 | DHY | 0.8876 |
308 | 5WZ | 0.8876 |
309 | 78Y | 0.8873 |
310 | L14 | 0.8872 |
311 | LZ5 | 0.8870 |
312 | GK8 | 0.8869 |
313 | 6C8 | 0.8868 |
314 | DEW | 0.8866 |
315 | DAH | 0.8863 |
316 | HLP | 0.8863 |
317 | E5X | 0.8863 |
318 | P81 | 0.8862 |
319 | TSU | 0.8861 |
320 | 6HO | 0.8860 |
321 | YE6 | 0.8859 |
322 | 0LO | 0.8859 |
323 | I2E | 0.8857 |
324 | 9UL | 0.8857 |
325 | 8ZE | 0.8856 |
326 | 27K | 0.8856 |
327 | TSS | 0.8852 |
328 | 5OY | 0.8852 |
329 | SG2 | 0.8852 |
330 | 9FH | 0.8850 |
331 | KNA | 0.8850 |
332 | AAN | 0.8849 |
333 | BZ2 | 0.8847 |
334 | 8XL | 0.8847 |
335 | KDV | 0.8846 |
336 | QME | 0.8846 |
337 | YZM | 0.8846 |
338 | SG3 | 0.8844 |
339 | 12T | 0.8844 |
340 | X0U | 0.8843 |
341 | 5FL | 0.8843 |
342 | SNU | 0.8842 |
343 | 36E | 0.8841 |
344 | BZQ | 0.8839 |
345 | PSJ | 0.8839 |
346 | IQ5 | 0.8839 |
347 | ENW | 0.8838 |
348 | PQZ | 0.8838 |
349 | 4JK | 0.8838 |
350 | WT2 | 0.8838 |
351 | 80G | 0.8834 |
352 | 30G | 0.8834 |
353 | F9Y | 0.8833 |
354 | BOQ | 0.8833 |
355 | J6W | 0.8833 |
356 | EXY | 0.8832 |
357 | J38 | 0.8831 |
358 | EXD | 0.8830 |
359 | OA1 | 0.8830 |
360 | ALE | 0.8829 |
361 | NPA | 0.8829 |
362 | MQB | 0.8826 |
363 | M4N | 0.8826 |
364 | UNJ | 0.8826 |
365 | PPY | 0.8825 |
366 | KMY | 0.8823 |
367 | PPT | 0.8822 |
368 | 2D2 | 0.8821 |
369 | CFA | 0.8821 |
370 | CPZ | 0.8821 |
371 | OQC | 0.8819 |
372 | BIK | 0.8819 |
373 | 0L1 | 0.8818 |
374 | 64Z | 0.8818 |
375 | RYY | 0.8817 |
376 | 3R6 | 0.8817 |
377 | F4E | 0.8817 |
378 | IBP | 0.8817 |
379 | OOG | 0.8817 |
380 | BZ3 | 0.8815 |
381 | 9FL | 0.8815 |
382 | 4FE | 0.8814 |
383 | HLD | 0.8814 |
384 | 9CA | 0.8814 |
385 | 6FB | 0.8812 |
386 | NLA | 0.8811 |
387 | H4E | 0.8811 |
388 | EQW | 0.8811 |
389 | 0FK | 0.8811 |
390 | ESX | 0.8809 |
391 | CXH | 0.8808 |
392 | MSL | 0.8808 |
393 | TCA | 0.8808 |
394 | MS9 | 0.8807 |
395 | YI6 | 0.8807 |
396 | 8CC | 0.8806 |
397 | NVU | 0.8805 |
398 | FTV | 0.8804 |
399 | 1VK | 0.8803 |
400 | 8U3 | 0.8803 |
401 | NAG | 0.8803 |
402 | HAR | 0.8802 |
403 | NPS | 0.8802 |
404 | 2HC | 0.8801 |
405 | KLS | 0.8801 |
406 | 4FF | 0.8801 |
407 | MSR | 0.8801 |
408 | YPN | 0.8800 |
409 | PH3 | 0.8800 |
410 | K82 | 0.8799 |
411 | M6Z | 0.8796 |
412 | CS2 | 0.8796 |
413 | 0K7 | 0.8796 |
414 | 1IT | 0.8794 |
415 | ABF | 0.8794 |
416 | 4TB | 0.8793 |
417 | 8HC | 0.8793 |
418 | DG2 | 0.8792 |
419 | Y4L | 0.8790 |
420 | CKA | 0.8789 |
421 | 2K8 | 0.8788 |
422 | LVD | 0.8788 |
423 | 5TY | 0.8788 |
424 | Q02 | 0.8787 |
425 | 6SD | 0.8786 |
426 | 463 | 0.8786 |
427 | TCR | 0.8786 |
428 | 5E5 | 0.8786 |
429 | 5NS | 0.8782 |
430 | LZ2 | 0.8782 |
431 | 0OL | 0.8782 |
432 | MR1 | 0.8782 |
433 | GLO | 0.8778 |
434 | AMR | 0.8777 |
435 | S3P | 0.8777 |
436 | TFM | 0.8776 |
437 | 0F9 | 0.8775 |
438 | PLP | 0.8775 |
439 | AVO | 0.8775 |
440 | ONR | 0.8774 |
441 | V1T | 0.8774 |
442 | BPN | 0.8772 |
443 | WV7 | 0.8771 |
444 | EZL | 0.8770 |
445 | LRW | 0.8770 |
446 | NF3 |