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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 | 3PXQ | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
2 | 2R3N | ic50 = 70 nM | SCZ | C21 H19 N5 | c1ccc(cc1).... |
3 | 1H0V | - | UN4 | C10 H12 N6 O2 | c1[nH]c2c(.... |
4 | 4NJ3 | Kd = 0.3 uM | 2KD | C27 H21 Cl N2 O6 | COC(=O)[C@.... |
5 | 1JSV | - | U55 | C10 H11 N5 O2 S | c1cc(ccc1N.... |
6 | 1OIQ | ic50 = 2.9 uM | HDU | C14 H13 N5 O | Cc1c(n2ccc.... |
7 | 2W17 | ic50 = 0.002 uM | I19 | C24 H30 F N7 O | Cc1ncc(n1C.... |
8 | 2VTP | ic50 = 0.003 uM | LZ9 | C17 H11 F3 N4 O2 | c1cc(c(c(c.... |
9 | 1JVP | ic50 = 1.6 uM | LIG | C15 H11 N3 | c1ccc-2c(c.... |
10 | 1FVT | - | 106 | C14 H11 Br N4 O3 S | c1cc(ccc1N.... |
11 | 4KD1 | - | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
12 | 3LE6 | ic50 = 0.035 uM | 2BZ | C17 H10 Cl N5 O2 | Cc1c-2nc(c.... |
13 | 2VTI | ic50 = 0.66 uM | LZ3 | C14 H12 N4 O3 S | c1ccc2c(c1.... |
14 | 3LFS | Ki = 2.5 uM | A07 | C17 H16 Cl N3 O | CCCC(=O)Nc.... |
15 | 1PXI | - | CK1 | C8 H5 Cl2 N3 S | c1cnc(nc1c.... |
16 | 4LYN | - | 1YG | C20 H23 N3 O2 S2 | C[C@@H](c1.... |
17 | 1YKR | ic50 = 0.56 uM | 628 | C20 H14 Cl2 N4 O3 S | c1cc(c(c(c.... |
18 | 1PXN | Ki = 0.07 uM | CK6 | C15 H15 N5 O S | Cc1c(sc(n1.... |
19 | 2R3J | ic50 = 10 nM | SCJ | C18 H14 Br N5 | c1ccc(cc1).... |
20 | 6Q3F | - | HEW | C5 H5 Br N2 | c1cnc(cc1B.... |
21 | 3IG7 | ic50 = 9 nM | EFP | C18 H22 N4 O3 | CC(=O)NC1C.... |
22 | 2VTS | ic50 = 0.03 uM | LZC | C16 H23 N7 | CC(C)Nc1cc.... |
23 | 1P2A | ic50 = 12 nM | 5BN | C17 H15 F N4 O | c1cc([nH]c.... |
24 | 2BHE | ic50 = 1 uM | BRY | C16 H9 Br N2 O2 | c1ccc2c(c1.... |
25 | 3UNK | ic50 = 15 uM | 0BY | C17 H13 Cl N4 O2 | c1ccc(c(c1.... |
26 | 2VTQ | ic50 = 0.14 uM | LZA | C16 H17 F2 N5 O2 | c1cc(c(c(c.... |
27 | 2C68 | ic50 = 1.8 uM | CT6 | C18 H15 Br N5 | c1cc(cc(c1.... |
28 | 3TIZ | - | 3TI | C17 H13 N O2 | c1ccc2c(c1.... |
29 | 3PXY | ic50 = 5.9 uM | JWS | C10 H11 N5 O2 | COc1ccc(c(.... |
30 | 2R3M | ic50 = 10 nM | SCX | C19 H17 F2 N7 | CCc1cnn2c1.... |
31 | 5JQ5 | Kd = 2341 nM | I74 | C22 H30 N6 O | CC(C)c1cnn.... |
32 | 2C6O | - | 4SP | C18 H22 N6 O3 S | c1cc(ccc1N.... |
33 | 1V1K | ic50 = 35 uM | 3FP | C22 H23 F4 N5 O2 | CN(C)C[C@H.... |
34 | 2VTJ | ic50 = 1.9 uM | LZ4 | C10 H9 Cl N4 O2 S | c1cc(ccc1N.... |
35 | 3EZV | - | EZV | C25 H25 N7 | CN1CCN(CC1.... |
36 | 3PXZ | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
37 | 1W0X | - | OLO | C15 H18 N6 O | Cn1cnc2c1n.... |
38 | 2XMY | Ki = 0.11 nM | CDK | C18 H21 N5 O4 S2 | CC1=C(SC(=.... |
39 | 2UZO | ic50 = 27 uM | C62 | C14 H10 N2 O5 S2 | c1cc(ccc1c.... |
40 | 1KE7 | ic50 = 8.9 nM | LS3 | C20 H15 N3 O4 S | c1cc2c(cc1.... |
41 | 1DM2 | - | HMD | C11 H10 Br N5 O2 | C1CNC(=O)C.... |
42 | 1DI8 | ic50 = 1 uM | DTQ | C16 H15 N3 O3 | COc1cc2c(c.... |
43 | 5JQ8 | - | I73 | C22 H30 N6 O | CC(C)c1cnn.... |
44 | 6Q4H | - | HGH | C13 H11 N5 O3 | c1cc(cc(c1.... |
45 | 1GIJ | - | 2PU | C19 H22 N6 O2 | c1cc2c(c(c.... |
46 | 2R3P | ic50 = 900 nM | 3SC | C19 H12 Cl2 N6 S | c1cc(c(c(c.... |
47 | 1KE8 | ic50 = 1000 nM | LS4 | C18 H14 N4 O3 S2 | c1ccc2c(c1.... |
48 | 2C6I | ic50 = 11 uM | DT1 | C18 H22 N6 O3 S | c1cc(ccc1N.... |
49 | 1PXP | Ki = 0.22 uM | CK8 | C17 H19 N5 S | Cc1c(sc(n1.... |
50 | 6Q3C | - | BYZ | C3 H3 Br N2 | c1c(cn[nH].... |
51 | 2UZN | ic50 = 0.03 uM | C96 | C15 H13 N3 O4 S2 | [H]/N=C/1N.... |
52 | 2B55 | ic50 = 96 nM | D31 | C24 H31 N5 O2 | c1cc-2c(c(.... |
53 | 5K4J | - | 6QB | C21 H18 Cl F N6 O2 | Cn1c(ccn1).... |
54 | 3PJ8 | - | 404 | C19 H26 N6 O | CC[C@H](CO.... |
55 | 3LFQ | - | A28 | C17 H15 F2 N3 O | CCCC(=O)Nc.... |
56 | 2W05 | ic50 = 0.001 uM | FRT | C20 H26 N6 O3 S | Cc1ncc(n1C.... |
57 | 2XNB | Ki = 149 nM | Y8L | C19 H22 N6 O S | CC1=C(SC(=.... |
58 | 1HCK | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
59 | 5IEX | - | 6AF | C17 H21 Br N4 O3 S | C[C@H]([C@.... |
60 | 2R3H | ic50 = 20000 nM | SCE | C13 H13 N5 | Cc1cnc2n1c.... |
61 | 3LFN | ic50 = 3160 nM | A27 | C23 H21 N3 O2 | CCCC(=O)Nc.... |
62 | 3PY1 | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
63 | 2A4L | ic50 = 0.4 uM | RRC | C19 H26 N6 O | CC[C@H](CO.... |
64 | 1Y8Y | ic50 = 2 uM | CT7 | C13 H11 Cl N4 O2 S | CS(=O)(=O).... |
65 | 6GUH | Kd = 26 nM | FB8 | C18 H21 N5 O2 S | Cc1ncc(n1C.... |
66 | 1OIR | ic50 = 0.032 uM | HDY | C23 H26 N6 O2 | Cc1c(n2ccc.... |
67 | 1PXJ | - | CK2 | C9 H10 N4 S | Cc1c(sc(n1.... |
68 | 2VTO | ic50 = 0.14 uM | LZ8 | C17 H13 F N4 O2 | c1ccc(cc1).... |
69 | 2BTR | ic50 = 95 nM | U73 | C13 H15 N3 O S | CC(C)C1=CN.... |
70 | 6Q4K | - | HHW | C16 H12 Cl N O3 | c1cc(cc(c1.... |
71 | 2VTA | ic50 = 185 uM | LZ1 | C7 H6 N2 | c1ccc2c(c1.... |
72 | 3EZR | - | EZR | C26 H27 N7 O | CN1CCN(CC1.... |
73 | 3ULI | ic50 = 0.07 uM | 1N3 | C21 H25 Br N6 O2 | COc1ccc(cc.... |
74 | 2DS1 | ic50 = 3.4 nM | 1CD | C22 H21 N5 O3 | C[C@@H]1C[.... |
75 | 5FP5 | - | 1Y6 | C7 H5 F O2 | c1cc(ccc1C.... |
76 | 2VTH | ic50 = 120 uM | LZ2 | C10 H9 N O3 S | c1cc2c(ccc.... |
77 | 1KE5 | ic50 = 560 nM | LS1 | C16 H15 N3 O3 S | CNS(=O)(=O.... |
78 | 3FZ1 | - | B98 | C13 H15 N3 O2 S | COc1ccc2c(.... |
79 | 1WCC | ic50 = 350 uM | CIG | C4 H4 Cl N3 | c1c(nc(cn1.... |
80 | 1PXO | Ki = 2 nM | CK7 | C14 H12 N6 O2 S | Cc1c(sc(n1.... |
81 | 1H00 | ic50 = 38 uM | FAP | C21 H23 F2 N5 O2 | CN(C)C[C@@.... |
82 | 2R3R | - | 6SC | C18 H14 Br N5 | c1ccc(cc1).... |
83 | 1B39 | Kd = 0.12 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
84 | 6Q4C | - | HH8 | C8 H5 Br N2 | c1cc2c(ccn.... |
85 | 3PXF | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
86 | 3TI1 | - | B49 | C22 H27 F N4 O2 | CCN(CC)CCN.... |
87 | 2R3G | ic50 = 800 nM | SC9 | C18 H14 F N5 | c1ccc(c(c1.... |
88 | 2C69 | ic50 = 26 uM | CT8 | C17 H14 Br N6 | c1cc(cc(c1.... |
89 | 2VTM | ic50 ~ 1 mM | LZM | C7 H4 N4 | c1cnc2c(cn.... |
90 | 4ERW | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
91 | 1E1V | Ki = 12 uM | CMG | C12 H17 N5 O | c1[nH]c2c(.... |
92 | 2VV9 | ic50 = 0.017 uM | IM9 | C23 H29 N7 O2 | Cc1ncc(n1C.... |
93 | 5IEV | - | R0N | C18 H23 F3 N4 O3 S | C[C@H]([C@.... |
94 | 6Q48 | - | HHQ | C5 H4 I N O | C1C(=CC=NC.... |
95 | 4D1X | - | ESJ | C11 H8 N2 O3 S2 | c1cc2c(cc1.... |
96 | 5MHQ | - | 8QT | C19 H27 N7 O | CC[C@@H]([.... |
97 | 2BTS | ic50 = 20 nM | U32 | C12 H15 N3 O2 S2 | CC(C)c1cnc.... |
98 | 6Q4D | - | HHT | C9 H9 Br O3 | COc1cc(ccc.... |
99 | 1URW | ic50 < 0.003 uM | I1P | C21 H24 N8 O2 S | CN(C)CCCNS.... |
100 | 5FP6 | - | MFZ | C11 H7 Cl2 N O | c1cc(c2c(c.... |
101 | 1CKP | - | PVB | C20 H25 Cl N6 O3 | CC(C)[C@H].... |
102 | 1KE6 | ic50 = 5.7 nM | LS2 | C17 H15 N5 O3 S2 | CNS(=O)(=O.... |
103 | 2C6K | ic50 = 0.73 uM | DT2 | C17 H21 N7 O2 S | c1cc(ccc1N.... |
104 | 6Q4F | - | 26D | C5 H7 N3 | c1cc(nc(c1.... |
105 | 2R3Q | - | 5SC | C19 H16 Br N5 O | Cc1ccccc1c.... |
106 | 1OIT | ic50 < 0.003 uM | HDT | C17 H14 N6 O2 S | c1ccn2c(c1.... |
107 | 3NS9 | ic50 = 0.003 uM | NS9 | C20 H27 N5 O3 | CC(C)c1cnn.... |
108 | 6Q4I | - | HGK | C13 H11 N O4 | c1cc(ccc1C.... |
109 | 1H01 | ic50 = 22 uM | FAL | C21 H23 Cl2 N5 O2 | CN(C)C[C@H.... |
110 | 2EXM | - | ZIP | C10 H13 N5 | CC(=CCNc1c.... |
111 | 4BGH | ic50 = 4 nM | 3I6 | C13 H16 Br N5 O3 S | C[C@H](CO).... |
112 | 2R3F | ic50 = 500 nM | SC8 | C18 H13 Cl2 N5 | c1cc(c(c(c.... |
113 | 1GII | - | 1PU | C17 H16 N4 O2 | c1ccnc(c1).... |
114 | 6Q4B | - | HHN | C4 H3 Br N2 | c1c(cncn1).... |
115 | 2R64 | ic50 = 0.03 uM | 740 | C23 H27 N5 O3 S | c1cc(ccc1C.... |
116 | 5A14 | - | LQ5 | C24 H26 F3 N7 O2 | CN1CCN(CC1.... |
117 | 2C6L | ic50 = 0.27 uM | DT4 | C17 H22 N8 O2 S | c1cc(ccc1N.... |
118 | 2W06 | - | FRV | C18 H20 N6 O2 S | Cc1ncc(n1C.... |
119 | 4EZ7 | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
120 | 6Q4J | - | HHB | C12 H11 N3 O2 | c1cc(cc(c1.... |
121 | 5D1J | ic50 = 48 nM | 56H | C17 H24 N4 O2 S2 | CC(C)(C)c1.... |
122 | 5IEY | - | 6AE | C14 H19 N5 O3 S | C[C@H]([C@.... |
123 | 2VTT | ic50 = 0.044 uM | LZD | C16 H17 F2 N5 O2 | c1cc(c(c(c.... |
124 | 2VU3 | ic50 = 0.047 uM | LZE | C16 H17 Cl2 N5 O2 | c1cc(c(c(c.... |
125 | 2B54 | - | D05 | C20 H15 Cl3 N4 O3 | CCc1c2c(n(.... |
126 | 1GZ8 | - | MBP | C10 H13 N5 O2 | CC(C)C(=O).... |
127 | 3PY0 | ic50 = 0.13 uM | SU9 | C13 H11 N3 O2 | COc1ccc2c(.... |
128 | 2VTR | ic50 = 1.5 uM | LZB | C10 H10 Cl N5 | CC(C)Nc1cc.... |
129 | 1E1X | Ki = 1.3 uM | NW1 | C11 H17 N5 O2 | C1CCC(CC1).... |
130 | 3UNJ | ic50 = 11 uM | 0BX | C17 H14 N4 O2 | c1ccc(cc1).... |
131 | 2A0C | - | CK9 | C19 H26 N6 O2 | CC[C@H](CO.... |
132 | 3TIY | - | TIY | C11 H8 O5 | c1c2c(c(c(.... |
133 | 2R3I | ic50 = 1000 nM | SCF | C18 H14 F N5 | c1ccc(c(c1.... |
134 | 1VYZ | ic50 = 290 nM | N5B | C13 H13 N3 O | c1ccc(cc1).... |
135 | 3WBL | ic50 = 23 uM | PDY | C20 H26 N6 O | CCOc1ccc(c.... |
136 | 4RJ3 | ic50 = 93 nM | 3QS | C22 H28 N6 O | COC1CCN(CC.... |
137 | 2VTN | ic50 = 0.85 uM | LZ7 | C12 H11 F N4 O2 | CC(=O)Nc1c.... |
138 | 1AQ1 | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
139 | 2C6M | ic50 = 0.35 uM | DT5 | C17 H20 N6 O3 S | c1cc(ccc1N.... |
140 | 2R3L | ic50 = 100 nM | SCW | C18 H14 Br N5 | c1ccc(cc1).... |
141 | 6Q4A | - | HGW | C4 H3 I N2 | c1c(cncn1).... |
142 | 1H08 | - | BYP BWP | n/a | n/a |
143 | 1B38 | Kd = 0.254 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
144 | 2B52 | ic50 = 8 nM | D42 | C21 H23 N7 O2 S | Cc1c(sc(n1.... |
145 | 1PXL | - | CK4 | C16 H13 F3 N4 S | Cc1c(sc(n1.... |
146 | 3S2P | ic50 = 0.068 uM | PMU | C17 H22 N4 O3 | CC(C)c1cc(.... |
147 | 2R3O | ic50 = 600 nM | 2SC | C19 H17 N5 O | c1ccc(cc1).... |
148 | 3IGG | ic50 = 95 nM | EFQ | C16 H19 N3 O3 | COc1ccc(cc.... |
149 | 1R78 | ic50 = 3 nM | FMD | C20 H20 F N3 O4 | C[C@H]([C@.... |
150 | 2FVD | Ki = 0.003 uM | LIA | C18 H21 F2 N5 O4 S | COc1ccc(c(.... |
151 | 2VTL | ic50 = 97 uM | LZ5 | C10 H9 N3 O | c1ccc(cc1).... |
152 | 1KE9 | ic50 = 660 nM | LS5 | C16 H15 N5 O3 S | c1ccc2c(c1.... |
153 | 6Q3B | - | PYZ | C3 H3 I N2 | c1c(cn[nH].... |
154 | 1PYE | Ki = 386 nM | PM1 | C21 H13 F2 N3 O2 | c1ccc(cc1).... |
155 | 6Q49 | - | HGQ | C5 H4 Br N O | C1=CNC(=O).... |
156 | 4EZ3 | - | 0S0 | C11 H10 N4 O4 S | c1cc(ccc1/.... |
157 | 1H07 | ic50 = 3 uM | MFP | C24 H27 Br N6 O2 | Cc1ccc(c(c.... |
158 | 2B53 | ic50 = 0.6 uM | D23 | C19 H19 F3 N4 | CC(C)(C)Nc.... |
159 | 6GUK | Kd = 715 nM | FC8 | C19 H24 Cl N7 | CCn1cnc2c1.... |
160 | 2DUV | ic50 = 0.087 uM | 371 | C19 H17 N O7 S | Cc1cc2c(c(.... |
161 | 4D1Z | - | WG8 | C13 H10 N2 O3 S | c1cc2ccc(n.... |
162 | 6Q4E | Kd = 350 uM | HH5 | C5 H4 I N5 | c1[nH]c2c(.... |
163 | 4ACM | Ki = 210 nM | 7YG | C20 H23 N7 O3 S | CN(C)CCNS(.... |
164 | 2C5Y | ic50 = 0.25 uM | MTW | C19 H15 N7 O2 | c1cc(cc(c1.... |
165 | 6Q4G | Kd = 50 uM | HJK | C13 H11 N5 O2 | c1cc(cc(c1.... |
166 | 2R3K | ic50 = 100 nM | SCQ | C18 H14 Br N5 | c1ccc(cc1).... |
167 | 2V0D | - | C53 | C9 H7 N3 O S | [H]/N=C1/N.... |
168 | 2W1H | ic50 = 0.052 uM | L0F | C17 H13 N5 O | c1ccc(cc1).... |
169 | 1Y91 | ic50 = 0.059 uM | CT9 | C23 H33 N7 O2 S | CC(C)c1cnn.... |
170 | 4AU8 | ic50 = 551 nM | Z3R | C11 H8 N2 O2 S3 | c1ccc2c(c1.... |
171 | 1V0P | ic50 = 0.13 uM | PVB | C20 H25 Cl N6 O3 | CC(C)[C@H].... |
172 | 1V0O | ic50 = 5.5 uM | INR | C16 H10 N2 O5 S | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3PXQ | Kd = 37 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
2 | 2R3N | ic50 = 70 nM | SCZ | C21 H19 N5 | c1ccc(cc1).... |
3 | 1H0V | - | UN4 | C10 H12 N6 O2 | c1[nH]c2c(.... |
4 | 4NJ3 | Kd = 0.3 uM | 2KD | C27 H21 Cl N2 O6 | COC(=O)[C@.... |
5 | 1JSV | - | U55 | C10 H11 N5 O2 S | c1cc(ccc1N.... |
6 | 1OIQ | ic50 = 2.9 uM | HDU | C14 H13 N5 O | Cc1c(n2ccc.... |
7 | 2W17 | ic50 = 0.002 uM | I19 | C24 H30 F N7 O | Cc1ncc(n1C.... |
8 | 2VTP | ic50 = 0.003 uM | LZ9 | C17 H11 F3 N4 O2 | c1cc(c(c(c.... |
9 | 1JVP | ic50 = 1.6 uM | LIG | C15 H11 N3 | c1ccc-2c(c.... |
10 | 1FVT | - | 106 | C14 H11 Br N4 O3 S | c1cc(ccc1N.... |
11 | 4KD1 | - | 1QK | C21 H29 N6 O2 | CCc1cnn2c1.... |
12 | 3LE6 | ic50 = 0.035 uM | 2BZ | C17 H10 Cl N5 O2 | Cc1c-2nc(c.... |
13 | 2VTI | ic50 = 0.66 uM | LZ3 | C14 H12 N4 O3 S | c1ccc2c(c1.... |
14 | 3LFS | Ki = 2.5 uM | A07 | C17 H16 Cl N3 O | CCCC(=O)Nc.... |
15 | 1PXI | - | CK1 | C8 H5 Cl2 N3 S | c1cnc(nc1c.... |
16 | 4LYN | - | 1YG | C20 H23 N3 O2 S2 | C[C@@H](c1.... |
17 | 1YKR | ic50 = 0.56 uM | 628 | C20 H14 Cl2 N4 O3 S | c1cc(c(c(c.... |
18 | 1PXN | Ki = 0.07 uM | CK6 | C15 H15 N5 O S | Cc1c(sc(n1.... |
19 | 2R3J | ic50 = 10 nM | SCJ | C18 H14 Br N5 | c1ccc(cc1).... |
20 | 6Q3F | - | HEW | C5 H5 Br N2 | c1cnc(cc1B.... |
21 | 3IG7 | ic50 = 9 nM | EFP | C18 H22 N4 O3 | CC(=O)NC1C.... |
22 | 2VTS | ic50 = 0.03 uM | LZC | C16 H23 N7 | CC(C)Nc1cc.... |
23 | 1P2A | ic50 = 12 nM | 5BN | C17 H15 F N4 O | c1cc([nH]c.... |
24 | 2BHE | ic50 = 1 uM | BRY | C16 H9 Br N2 O2 | c1ccc2c(c1.... |
25 | 3UNK | ic50 = 15 uM | 0BY | C17 H13 Cl N4 O2 | c1ccc(c(c1.... |
26 | 2VTQ | ic50 = 0.14 uM | LZA | C16 H17 F2 N5 O2 | c1cc(c(c(c.... |
27 | 2C68 | ic50 = 1.8 uM | CT6 | C18 H15 Br N5 | c1cc(cc(c1.... |
28 | 3TIZ | - | 3TI | C17 H13 N O2 | c1ccc2c(c1.... |
29 | 3PXY | ic50 = 5.9 uM | JWS | C10 H11 N5 O2 | COc1ccc(c(.... |
30 | 2R3M | ic50 = 10 nM | SCX | C19 H17 F2 N7 | CCc1cnn2c1.... |
31 | 6HOT | - | CIY | C10 H10 O3 | COc1cc(ccc.... |
32 | 5ORJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 3MB6 | ic50 = 100 nM | 01I | C16 H8 O6 | c1cc2c(cc(.... |
34 | 5M4F | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
35 | 6A1C | - | 9NX | C17 H15 Br N4 O2 S | COc1cc(c(c.... |
36 | 6EHU | - | B5E | C25 H24 F3 N3 | CCc1ccccc1.... |
37 | 5CVH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
38 | 3BQC | ic50 ~ 2 uM | EMO | C15 H10 O5 | Cc1cc2c(c(.... |
39 | 6L22 | - | E3U | C16 H12 O6 | c1cc(c(c2c.... |
40 | 5N9K | Ki = 0.46 nM | 8QK | C20 H13 Cl2 N O4 | COc1ccc(cc.... |
41 | 5OTQ | - | AUH | C25 H27 N3 O | CCc1ccccc1.... |
42 | 5CU2 | - | 54G | C8 H8 O3 | Cc1ccc(c(c.... |
43 | 5MO5 | - | 4IH | C17 H21 Cl N2 O2 S | CS(=O)(=O).... |
44 | 5M4I | - | 7FC | C16 H8 Cl2 O5 | c1cc(ccc1C.... |
45 | 5MP8 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
46 | 6HOR | - | GJK | C11 H12 O3 | CC(=O)/C=C.... |
47 | 4UZH | ic50 = 9800 nM | JVE | C15 H13 F N4 O | c1ccc(c(c1.... |
48 | 6R49 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 6R4A | - | JRT | C17 H17 N3 O | c1ccc(cc1).... |
50 | 5OS1 | Kd = 494 uM | A7H | C10 H11 N O S | CCOc1ccc2c.... |
51 | 2C6E | - | HPM | C28 H31 N7 O4 | COc1cc2c(c.... |
52 | 3H0Y | ic50 = 0.006 uM | 48B | C23 H17 Cl F N5 O2 | c1ccc(c(c1.... |
53 | 4B0G | ic50 = 0.015 uM | VEK | C19 H21 Br N8 O | Cc1cc(no1).... |
54 | 4JBP | ic50 = 41 nM | YPH | C34 H36 N6 O4 | c1ccc(cc1).... |
55 | 3H10 | - | 97B | C30 H25 Cl F2 N6 O | CN1CCN(CC1.... |
56 | 6VPM | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
57 | 5Y9M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
58 | 7A1B | ic50 = 2.36 uM | QXW | C5 H2 Br2 N4 | c1c2c(nc(c.... |
59 | 7A2H | - | QX2 | C6 H2 Br3 N3 | c1[nH]c2c(.... |
60 | 1M2P | - | HNA | C14 H7 N O6 | c1cc2c(c(c.... |
61 | 1LPU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
62 | 2QC6 | ic50 = 0.1 uM | G12 | C10 H6 Br2 O3 | CC1=C(C(=O.... |
63 | 4ANM | ic50 = 28 nM | WUL | C15 H14 Br N3 O3 | c1cc2c(cc1.... |
64 | 1DAW | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
65 | 4RLK | - | E91 | C21 H14 N2 O2 | c1ccc2c(c1.... |
66 | 2OXD | - | K32 | C7 H2 Br4 N2 O | c12c(c(c(c.... |
67 | 1JKL | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
68 | 3F5G | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
69 | 5AUZ | ic50 = 98 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
70 | 4FG9 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
71 | 5L2T | - | 6ZZ | C23 H30 N8 O | CN(C)C(=O).... |
72 | 3GC0 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
73 | 3MFU | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
74 | 3C0H | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
75 | 3C0I | - | 3AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
76 | 3MFS | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
77 | 5OMY | - | 9YE | C23 H25 N O3 | CC(C)n1c2c.... |
78 | 2YAB | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
79 | 2YAA | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
80 | 4JR7 | - | GNP | C10 H17 N6 O13 P3 | c1nc2c(n1[.... |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2xmy.bio1) has 81 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4OUC | 5ID | 4.69799 |
2 | 6JKM | ADP | 24.8322 |
3 | 3UIM | ANP | 32.8859 |
4 | 1U59 | STU | 33.101 |
5 | 4Y8D | 49J | 33.557 |
6 | 4U44 | 3D9 | 33.8926 |
7 | 4U44 | 3D9 | 33.8926 |
8 | 6F3G | CJN | 34.2373 |
9 | 5Y80 | IRE | 34.5638 |
10 | 3LXN | MI1 | 34.5638 |
11 | 5AX9 | 4KT | 34.8993 |
12 | 5AX9 | 4KT | 34.8993 |
13 | 5WNL | STU | 34.8993 |
14 | 5WNL | STU | 34.8993 |
15 | 5AX9 | 4KT | 34.8993 |
16 | 6OVA | N9G | 34.8993 |
17 | 4E1Z | 0MX | 35.7388 |
18 | 1BYG | STU | 36.3309 |
19 | 2H8H | H8H | 37.9195 |
20 | 3SRV | S19 | 38.9892 |
21 | 2Z7R | STU | 39.9329 |
22 | 4G31 | 0WH | 39.9329 |
23 | 4WNP | 3RJ | 40.4181 |
24 | 4WNP | 3RJ | 40.4181 |
25 | 3HMO | STU | 42.953 |
26 | 3HMO | STU | 42.953 |
27 | 3VRY | B43 | 42.953 |
28 | 4JR7 | GNP | 44.6309 |
29 | 2V7O | DRN | 44.6309 |
30 | 2VZ6 | FEF | 44.9664 |
31 | 2VZ6 | FEF | 44.9664 |
32 | 6PJX | SGV | 45.302 |
33 | 2VN9 | GVD | 45.302 |
34 | 2VN9 | GVD | 45.302 |
35 | 4DC2 | ADE | 45.302 |
36 | 3GGF | GVD | 46.9799 |
37 | 3GGF | GVD | 46.9799 |
38 | 3GGF | GVD | 46.9799 |
39 | 3GGF | GVD | 46.9799 |
40 | 6QF4 | ADP | 46.9799 |
41 | 6YA6 | 0SX | 47.3154 |
42 | 2ZV2 | 609 | 47.9866 |
43 | 6N3O | KA7 | 48.3221 |
44 | 3C0G | 3AM | 48.6577 |
45 | 3IGO | ANP | 49.3289 |
46 | 6QAV | HVH | 50 |
47 | 6QAV | HVH | 50 |
48 | 6QAV | HVH | 50 |
49 | 6QAV | HVH | 50 |
50 | 3HZT | J60 | 50 |