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- 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 20 families. | |||||
1 | 4CJU | - | JNS | C16 H12 O4 | c1ccc(cc1).... |
2 | 6VLM | ic50 = 10 uM | R2D | C17 H11 Cl N2 O2 S | c1ccc2c(c1.... |
3 | 4CEB | Kd = 1080 uM | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
4 | 3AVG | - | ALA ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
5 | 4CIE | - | Y7N | C24 H26 N2 O5 | c1ccc2c(c1.... |
6 | 4LH5 | ic50 = 0.23 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
7 | 5OI8 | ic50 = 0.21 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
8 | 3NFA | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
9 | 3ZSZ | - | OM2 | C22 H27 N2 O5 | CC[C@H](C).... |
10 | 4DMN | ic50 = 2.3 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
11 | 3L3V | - | GLC FRU | n/a | n/a |
12 | 4CJL | - | 9PA | C20 H30 N2 O5 | CC(C)C[C@@.... |
13 | 3AVA | ic50 = 39.7 uM | ALA LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
14 | 4CF0 | - | O5U | C28 H34 N2 O7 | c1ccc2c(c1.... |
15 | 4AHT | - | Q6T | C8 H6 O4 | c1cc(c2c(c.... |
16 | 4O5B | - | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
17 | 4CER | - | VL4 | C27 H32 N2 O7 | CN(Cc1cccc.... |
18 | 4CFA | - | WOP | C26 H25 N3 O6 | CN(Cc1ccc2.... |
19 | 4CJT | - | HLR | C7 H6 N2 O | c1ccc2c(c1.... |
20 | 4CJ3 | - | E4F | C23 H26 N2 O5 | c1ccc2c(c1.... |
21 | 4CGF | - | UJ6 | C17 H13 N O5 | c1ccc2c(c1.... |
22 | 4CJF | - | RVN | C17 H11 N O5 | c1ccc2c(c1.... |
23 | 5KGW | - | 7SK | C24 H27 N O4 | CC(C)(C)O[.... |
24 | 3ZSW | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
25 | 4O55 | ic50 = 5.03 uM | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
26 | 4E1N | ic50 = 19 nM | TQX | C26 H28 F N O4 | Cc1c(cc(c2.... |
27 | 4CEO | - | G0T | C30 H32 N2 O8 | CN(Cc1cccc.... |
28 | 3NF7 | ic50 = 340 uM | CIW | C17 H12 Cl N O5 | c1cc2c(cc1.... |
29 | 3AO2 | Kd = 0.17 mM | AVX | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
30 | 3ZT4 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
31 | 4OVL | - | 1TD | C16 H11 N O3 | c1ccc2c(c1.... |
32 | 5KRS | - | 6XI | C9 H7 N O2 S | c1ccn(c1)c.... |
33 | 3AVN | - | SER HIS LYS ILE ASP ASN LEU ASP | n/a | n/a |
34 | 4CHY | - | C5Q | C17 H13 N O4 | c1ccc2c(c1.... |
35 | 3ZSR | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
36 | 4CGI | Kd = 752 uM | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
37 | 3VQE | - | FMQ | C11 H11 F N2 O | Cc1c(cnn1c.... |
38 | 3AVI | - | SER LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
39 | 3VQP | - | DBJ | C9 H10 O3 | c1cc(c2c(c.... |
40 | 4CK2 | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
41 | 4CJW | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
42 | 3VQ7 | - | GLC FRU | n/a | n/a |
43 | 6NCJ | ic50 = 0.024 uM | KJJ | C35 H41 F N2 O4 | Cc1c(cc(c2.... |
44 | 4CES | - | NFW | C27 H28 N2 O8 | CN(Cc1cccc.... |
45 | 4CF2 | - | 3GM | C26 H30 N2 O7 | c1ccc2c(c1.... |
46 | 3AVH | - | ALA ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
47 | 3ZSX | - | N44 | C27 H25 N2 O5 | C=CCN(Cc1c.... |
48 | 3AVC | - | SER ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
49 | 4O0J | ic50 = 13 uM | LF8 | C27 H30 Cl N O3 | Cc1ccc(cc1.... |
50 | 3AVM | - | SER ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
51 | 4AHU | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
52 | 5KRT | - | 6W6 | C9 H5 Cl2 N O2 S | c1cc(n(c1C.... |
53 | 3AVB | ic50 = 85.2 uM | SER LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
54 | 4CJR | Kd = 793 uM | FYM | C27 H28 N2 O7 | CN(Cc1cccc.... |
55 | 4AHS | - | AKH | C9 H6 O3 | c1cc2ccoc2.... |
56 | 4CIF | - | JDX | C26 H28 N2 O5 | CN(Cc1cccc.... |
57 | 3VQ6 | - | BCK | C11 H12 N2 O | Cn1c(c(cn1.... |
58 | 3ZT0 | Kd = 595 nM | ZT0 | C26 H27 N2 O6 | C[NH+](Cc1.... |
59 | 3AO5 | Kd = 5.9 mM | BBY | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
60 | 4NYF | Kd = 49 nM | 4BI | C22 H22 Cl N O3 | Cc1c(c(c2c.... |
61 | 4CK3 | Kd = 268 uM | K1T | C19 H28 N2 O5 | CC(C)C[C@@.... |
62 | 4CEE | - | B0T | C26 H32 N2 O7 | CC[C@H](C).... |
63 | 4AH9 | - | 0MB | C13 H16 N4 S | c1ccc(cc1).... |
64 | 4TSX | Kd = 10.3 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
65 | 4CJQ | Kd = 256 uM | VXO | C25 H28 N2 O5 | CC(C)C[C@@.... |
66 | 5OI5 | ic50 = 0.19 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
67 | 1HYZ | ic50 = 380 uM | TTO | C24 H20 As O2 | c1ccc(cc1).... |
68 | 4CF1 | - | IY7 | C27 H32 N2 O7 | c1ccc2c(c1.... |
69 | 4CE9 | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
70 | 3AO4 | Kd = 8.5 mM | 833 | C11 H11 N3 O2 | Cn1c(cc(n1.... |
71 | 3ZT2 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
72 | 4CFB | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
73 | 3VQD | - | MOK | C11 H9 N O3 | Cc1c(c(no1.... |
74 | 4CHP | - | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
75 | 3ZT1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
76 | 3VQ9 | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
77 | 3VQC | - | MPK | C11 H11 N O2 | Cc1c(c(no1.... |
78 | 3ZSV | - | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
79 | 4CJP | - | 4D2 | C21 H24 N2 O5 | CC(C)C[C@@.... |
80 | 4CGG | - | K5Q | C22 H19 N O7 | c1ccc2c(c1.... |
81 | 6NUJ | - | L3D | C27 H26 N2 O4 | Cc1c(c(c2c.... |
82 | 4CFC | - | 7NV | C23 H27 N3 O6 | CCCCNC(=O).... |
83 | 4CEF | - | D0T | C29 H30 N2 O7 | CN(Cc1cccc.... |
84 | 3AO1 | Kd = 5.5 mM | BZX | C7 H6 O3 | c1cc2c(cc1.... |
85 | 3ZT3 | Kd = 1435 uM | ZT4 | C18 H14 O5 | c1ccc2c(c1.... |
86 | 4CHO | - | U2Z | C12 H15 N3 O | Cc1cc(nn1c.... |
87 | 3NF9 | ic50 = 290 uM | CD9 | C17 H12 Cl N O5 | c1cc2c(cc1.... |
88 | 1HYV | ic50 > 5 mM | TTA | C24 H20 As | c1ccc(cc1).... |
89 | 3ZSQ | Kd = 10.9 uM | O4N | C31 H34 N2 O6 | CCC[C@@H](.... |
90 | 4CGD | - | 8P3 | C16 H13 N O3 | c1ccc2c(c1.... |
91 | 4CF9 | - | 5EY | C22 H20 O7 | c1ccc2c(c1.... |
92 | 3AVK | - | SER LEU LYS ILE ASP ASN GLU ASP | n/a | n/a |
93 | 4CEC | - | 2SS | C29 H34 N2 O7 | C=CCN(Cc1c.... |
94 | 4CHQ | - | CWU | C18 H16 O5 | c1ccc2c(c1.... |
95 | 5HRR | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
96 | 4CGJ | - | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
97 | 3VQB | - | FBG | C9 H7 F O4 | c1c(cc(c2c.... |
98 | 4GVM | ic50 = 1.49 uM | LF2 | C22 H21 Br Cl N O3 | Cc1c(c(c2c.... |
99 | 3VQQ | - | BTE | C6 H5 N3 S | c1cc(c2c(c.... |
100 | 3AVJ | - | ALA LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
101 | 4CFD | - | S8Y | C23 H27 N3 O6 | CC(C)(C)NC.... |
102 | 4JLH | ic50 = 15.6 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
103 | 4CJK | - | H39 | C21 H26 N2 O5 | CC(C)C[C@@.... |
104 | 4CF8 | - | V7H | C28 H28 N2 O7 | c1ccc(cc1).... |
105 | 4CK1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
106 | 4CHN | - | ONZ | C10 H9 N O5 | c1cc(c2c(c.... |
107 | 4OJR | - | 2SQ | C26 H28 F N O5 | Cc1c(cc(c2.... |
108 | 4ID1 | - | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
109 | 6UM8 | Ki = 0.17 uM | QCG | C29 H30 F N3 O4 | Cc1c(cc(c2.... |
110 | 3VQ8 | - | BCU | C10 H12 O2 | c1ccc2c(c1.... |
111 | 6LMI | - | EJ9 | C32 H39 N O6 S | Cc1ccc(cc1.... |
112 | 3OVN | Kd = 2.8 mM | MPV | C8 H9 N3 S | Cn1c(cc(n1.... |
113 | 3VQ4 | - | 0NX | C10 H9 N O2 | c1ccc(cc1).... |
114 | 4CHZ | - | H75 | C13 H13 Br N2 O | c1cc(ccc1N.... |
115 | 1QS4 | ic50 = 2.3 uM | 100 | C12 H8 Cl N5 O2 | c1cc2c(cc1.... |
116 | 4CIG | Kd = 214 uM | X0P | C30 H30 N2 O5 | CN(Cc1cccc.... |
117 | 6EB1 | ic50 = 4.65 uM | J3M | C30 H29 N O4 | CC(C)(C)O[.... |
118 | 5HRS | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
119 | 3AV9 | ic50 = 435 uM | SER ALA LYS ILE ASP ASN LEU ASP | n/a | n/a |
120 | 4CED | - | 9NS | C29 H30 N2 O8 | C=CCN(Cc1c.... |
121 | 4CEZ | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
122 | 4AHR | - | I2E | C10 H10 O4 | c1cc2c(cc1.... |
123 | 3ZSO | Kd = 7.6 uM | O2N | C35 H34 N2 O7 | COc1ccc(cc.... |
124 | 5HRP | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
125 | 3AO3 | - | BMC | C12 H10 N2 O4 | Cn1c(cc(n1.... |
126 | 5OI2 | ic50 = 0.17 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
127 | 4CJ4 | Kd = 432 uM | S3G | C21 H24 N2 O5 | CC(C)C[C@@.... |
128 | 4CJS | - | L0Y | C26 H32 N2 O5 | CN(Cc1cccc.... |
129 | 3ZCM | Kd = 519 uM | PX3 | C28 H28 N2 O6 | COc1ccc(cc.... |
130 | 3NF6 | ic50 = 295 uM | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
131 | 4CEA | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
132 | 4CJE | - | Q31 | C20 H25 N3 O5 | CC(C)C[C@@.... |
133 | 4CJ5 | Kd = 200 uM | 4VW | C22 H26 N2 O5 | CC(C)C[C@@.... |
134 | 3AVL | ic50 = 65.8 uM | ALA THR LYS ILE ASP ASN LEU ASP | n/a | n/a |
135 | 4CGH | - | LOZ | C22 H24 N2 O5 | c1ccc2c(c1.... |
136 | 6LMQ | - | 940 | C31 H38 N2 O6 S | Cc1ccc(cc1.... |
137 | 3NF8 | - | CDQ | C18 H14 Cl N O5 | c1cc2c(cc1.... |
138 | 3VQA | - | MWP | C8 H7 N O2 S | c1cc2c(cc1.... |
139 | 6EB2 | ic50 = 0.48 uM | J3P | C34 H33 N3 O4 | CC(C)(C)O[.... |
140 | 4CJV | - | IV2 | C8 H7 Cl N2 S | Cc1c(ccc2c.... |
141 | 3AVF | ic50 = 295 uM | ASP LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
142 | 5OIA | ic50 = 0.17 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
143 | 3ZSY | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
144 | 4CEQ | - | QCH | C29 H36 N2 O7 | CN(Cc1cccc.... |
145 | 3VQ5 | - | MMJ | C12 H14 N2 S | Cc1c(sc(n1.... |
146 | 4AHV | - | Z5P | C10 H11 N3 | c1ccc(c(c1.... |
147 | 4E1M | ic50 = 215 nM | TQ2 | C24 H27 N O3 | Cc1ccc(cc1.... |
148 | 5HRN | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4CJU | - | JNS | C16 H12 O4 | c1ccc(cc1).... |
2 | 6VLM | ic50 = 10 uM | R2D | C17 H11 Cl N2 O2 S | c1ccc2c(c1.... |
3 | 4CEB | Kd = 1080 uM | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
4 | 3AVG | - | ALA ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
5 | 4CIE | - | Y7N | C24 H26 N2 O5 | c1ccc2c(c1.... |
6 | 4LH5 | ic50 = 0.23 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
7 | 5OI8 | ic50 = 0.21 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
8 | 3NFA | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
9 | 3ZSZ | - | OM2 | C22 H27 N2 O5 | CC[C@H](C).... |
10 | 4DMN | ic50 = 2.3 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
11 | 3L3V | - | GLC FRU | n/a | n/a |
12 | 4CJL | - | 9PA | C20 H30 N2 O5 | CC(C)C[C@@.... |
13 | 3AVA | ic50 = 39.7 uM | ALA LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
14 | 4CF0 | - | O5U | C28 H34 N2 O7 | c1ccc2c(c1.... |
15 | 4AHT | - | Q6T | C8 H6 O4 | c1cc(c2c(c.... |
16 | 4O5B | - | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
17 | 4CER | - | VL4 | C27 H32 N2 O7 | CN(Cc1cccc.... |
18 | 4CFA | - | WOP | C26 H25 N3 O6 | CN(Cc1ccc2.... |
19 | 4CJT | - | HLR | C7 H6 N2 O | c1ccc2c(c1.... |
20 | 4CJ3 | - | E4F | C23 H26 N2 O5 | c1ccc2c(c1.... |
21 | 4CGF | - | UJ6 | C17 H13 N O5 | c1ccc2c(c1.... |
22 | 4CJF | - | RVN | C17 H11 N O5 | c1ccc2c(c1.... |
23 | 5KGW | - | 7SK | C24 H27 N O4 | CC(C)(C)O[.... |
24 | 3ZSW | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
25 | 4O55 | ic50 = 5.03 uM | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
26 | 4E1N | ic50 = 19 nM | TQX | C26 H28 F N O4 | Cc1c(cc(c2.... |
27 | 4CEO | - | G0T | C30 H32 N2 O8 | CN(Cc1cccc.... |
28 | 3NF7 | ic50 = 340 uM | CIW | C17 H12 Cl N O5 | c1cc2c(cc1.... |
29 | 3AO2 | Kd = 0.17 mM | AVX | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
30 | 3ZT4 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
31 | 4OVL | - | 1TD | C16 H11 N O3 | c1ccc2c(c1.... |
32 | 5KRS | - | 6XI | C9 H7 N O2 S | c1ccn(c1)c.... |
33 | 3AVN | - | SER HIS LYS ILE ASP ASN LEU ASP | n/a | n/a |
34 | 4CHY | - | C5Q | C17 H13 N O4 | c1ccc2c(c1.... |
35 | 3ZSR | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
36 | 4CGI | Kd = 752 uM | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
37 | 3VQE | - | FMQ | C11 H11 F N2 O | Cc1c(cnn1c.... |
38 | 3AVI | - | SER LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
39 | 3VQP | - | DBJ | C9 H10 O3 | c1cc(c2c(c.... |
40 | 4CK2 | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
41 | 4CJW | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
42 | 3VQ7 | - | GLC FRU | n/a | n/a |
43 | 6NCJ | ic50 = 0.024 uM | KJJ | C35 H41 F N2 O4 | Cc1c(cc(c2.... |
44 | 4CES | - | NFW | C27 H28 N2 O8 | CN(Cc1cccc.... |
45 | 4CF2 | - | 3GM | C26 H30 N2 O7 | c1ccc2c(c1.... |
46 | 3AVH | - | ALA ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
47 | 3ZSX | - | N44 | C27 H25 N2 O5 | C=CCN(Cc1c.... |
48 | 3AVC | - | SER ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
49 | 4O0J | ic50 = 13 uM | LF8 | C27 H30 Cl N O3 | Cc1ccc(cc1.... |
50 | 3AVM | - | SER ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
51 | 4AHU | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
52 | 5KRT | - | 6W6 | C9 H5 Cl2 N O2 S | c1cc(n(c1C.... |
53 | 3AVB | ic50 = 85.2 uM | SER LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
54 | 4CJR | Kd = 793 uM | FYM | C27 H28 N2 O7 | CN(Cc1cccc.... |
55 | 4AHS | - | AKH | C9 H6 O3 | c1cc2ccoc2.... |
56 | 4CIF | - | JDX | C26 H28 N2 O5 | CN(Cc1cccc.... |
57 | 3VQ6 | - | BCK | C11 H12 N2 O | Cn1c(c(cn1.... |
58 | 3ZT0 | Kd = 595 nM | ZT0 | C26 H27 N2 O6 | C[NH+](Cc1.... |
59 | 3AO5 | Kd = 5.9 mM | BBY | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
60 | 4NYF | Kd = 49 nM | 4BI | C22 H22 Cl N O3 | Cc1c(c(c2c.... |
61 | 4CK3 | Kd = 268 uM | K1T | C19 H28 N2 O5 | CC(C)C[C@@.... |
62 | 4CEE | - | B0T | C26 H32 N2 O7 | CC[C@H](C).... |
63 | 4AH9 | - | 0MB | C13 H16 N4 S | c1ccc(cc1).... |
64 | 4TSX | Kd = 10.3 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
65 | 4CJQ | Kd = 256 uM | VXO | C25 H28 N2 O5 | CC(C)C[C@@.... |
66 | 5OI5 | ic50 = 0.19 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
67 | 1HYZ | ic50 = 380 uM | TTO | C24 H20 As O2 | c1ccc(cc1).... |
68 | 4CF1 | - | IY7 | C27 H32 N2 O7 | c1ccc2c(c1.... |
69 | 4CE9 | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
70 | 3AO4 | Kd = 8.5 mM | 833 | C11 H11 N3 O2 | Cn1c(cc(n1.... |
71 | 3ZT2 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
72 | 4CFB | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
73 | 3VQD | - | MOK | C11 H9 N O3 | Cc1c(c(no1.... |
74 | 4CHP | - | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
75 | 3ZT1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
76 | 3VQ9 | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
77 | 3VQC | - | MPK | C11 H11 N O2 | Cc1c(c(no1.... |
78 | 3ZSV | - | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
79 | 4CJP | - | 4D2 | C21 H24 N2 O5 | CC(C)C[C@@.... |
80 | 4CGG | - | K5Q | C22 H19 N O7 | c1ccc2c(c1.... |
81 | 6NUJ | - | L3D | C27 H26 N2 O4 | Cc1c(c(c2c.... |
82 | 4CFC | - | 7NV | C23 H27 N3 O6 | CCCCNC(=O).... |
83 | 4CEF | - | D0T | C29 H30 N2 O7 | CN(Cc1cccc.... |
84 | 3AO1 | Kd = 5.5 mM | BZX | C7 H6 O3 | c1cc2c(cc1.... |
85 | 3ZT3 | Kd = 1435 uM | ZT4 | C18 H14 O5 | c1ccc2c(c1.... |
86 | 4CHO | - | U2Z | C12 H15 N3 O | Cc1cc(nn1c.... |
87 | 3NF9 | ic50 = 290 uM | CD9 | C17 H12 Cl N O5 | c1cc2c(cc1.... |
88 | 1HYV | ic50 > 5 mM | TTA | C24 H20 As | c1ccc(cc1).... |
89 | 3ZSQ | Kd = 10.9 uM | O4N | C31 H34 N2 O6 | CCC[C@@H](.... |
90 | 4CGD | - | 8P3 | C16 H13 N O3 | c1ccc2c(c1.... |
91 | 4CF9 | - | 5EY | C22 H20 O7 | c1ccc2c(c1.... |
92 | 3AVK | - | SER LEU LYS ILE ASP ASN GLU ASP | n/a | n/a |
93 | 4CEC | - | 2SS | C29 H34 N2 O7 | C=CCN(Cc1c.... |
94 | 4CHQ | - | CWU | C18 H16 O5 | c1ccc2c(c1.... |
95 | 5HRR | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
96 | 4CGJ | - | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
97 | 3VQB | - | FBG | C9 H7 F O4 | c1c(cc(c2c.... |
98 | 4GVM | ic50 = 1.49 uM | LF2 | C22 H21 Br Cl N O3 | Cc1c(c(c2c.... |
99 | 3VQQ | - | BTE | C6 H5 N3 S | c1cc(c2c(c.... |
100 | 3AVJ | - | ALA LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
101 | 4CFD | - | S8Y | C23 H27 N3 O6 | CC(C)(C)NC.... |
102 | 4JLH | ic50 = 15.6 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
103 | 4CJK | - | H39 | C21 H26 N2 O5 | CC(C)C[C@@.... |
104 | 4CF8 | - | V7H | C28 H28 N2 O7 | c1ccc(cc1).... |
105 | 4CK1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
106 | 4CHN | - | ONZ | C10 H9 N O5 | c1cc(c2c(c.... |
107 | 4OJR | - | 2SQ | C26 H28 F N O5 | Cc1c(cc(c2.... |
108 | 4ID1 | - | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
109 | 6UM8 | Ki = 0.17 uM | QCG | C29 H30 F N3 O4 | Cc1c(cc(c2.... |
110 | 3VQ8 | - | BCU | C10 H12 O2 | c1ccc2c(c1.... |
111 | 6LMI | - | EJ9 | C32 H39 N O6 S | Cc1ccc(cc1.... |
112 | 3OVN | Kd = 2.8 mM | MPV | C8 H9 N3 S | Cn1c(cc(n1.... |
113 | 3VQ4 | - | 0NX | C10 H9 N O2 | c1ccc(cc1).... |
114 | 4CHZ | - | H75 | C13 H13 Br N2 O | c1cc(ccc1N.... |
115 | 1QS4 | ic50 = 2.3 uM | 100 | C12 H8 Cl N5 O2 | c1cc2c(cc1.... |
116 | 4CIG | Kd = 214 uM | X0P | C30 H30 N2 O5 | CN(Cc1cccc.... |
117 | 6EB1 | ic50 = 4.65 uM | J3M | C30 H29 N O4 | CC(C)(C)O[.... |
118 | 5HRS | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
119 | 3AV9 | ic50 = 435 uM | SER ALA LYS ILE ASP ASN LEU ASP | n/a | n/a |
120 | 4CED | - | 9NS | C29 H30 N2 O8 | C=CCN(Cc1c.... |
121 | 4CEZ | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
122 | 4AHR | - | I2E | C10 H10 O4 | c1cc2c(cc1.... |
123 | 3ZSO | Kd = 7.6 uM | O2N | C35 H34 N2 O7 | COc1ccc(cc.... |
124 | 5HRP | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
125 | 3AO3 | - | BMC | C12 H10 N2 O4 | Cn1c(cc(n1.... |
126 | 5OI2 | ic50 = 0.17 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
127 | 4CJ4 | Kd = 432 uM | S3G | C21 H24 N2 O5 | CC(C)C[C@@.... |
128 | 4CJS | - | L0Y | C26 H32 N2 O5 | CN(Cc1cccc.... |
129 | 3ZCM | Kd = 519 uM | PX3 | C28 H28 N2 O6 | COc1ccc(cc.... |
130 | 3NF6 | ic50 = 295 uM | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
131 | 4CEA | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
132 | 4CJE | - | Q31 | C20 H25 N3 O5 | CC(C)C[C@@.... |
133 | 4CJ5 | Kd = 200 uM | 4VW | C22 H26 N2 O5 | CC(C)C[C@@.... |
134 | 3AVL | ic50 = 65.8 uM | ALA THR LYS ILE ASP ASN LEU ASP | n/a | n/a |
135 | 4CGH | - | LOZ | C22 H24 N2 O5 | c1ccc2c(c1.... |
136 | 6LMQ | - | 940 | C31 H38 N2 O6 S | Cc1ccc(cc1.... |
137 | 3NF8 | - | CDQ | C18 H14 Cl N O5 | c1cc2c(cc1.... |
138 | 3VQA | - | MWP | C8 H7 N O2 S | c1cc2c(cc1.... |
139 | 6EB2 | ic50 = 0.48 uM | J3P | C34 H33 N3 O4 | CC(C)(C)O[.... |
140 | 4CJV | - | IV2 | C8 H7 Cl N2 S | Cc1c(ccc2c.... |
141 | 3AVF | ic50 = 295 uM | ASP LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
142 | 5OIA | ic50 = 0.17 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
143 | 3ZSY | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
144 | 4CEQ | - | QCH | C29 H36 N2 O7 | CN(Cc1cccc.... |
145 | 3VQ5 | - | MMJ | C12 H14 N2 S | Cc1c(sc(n1.... |
146 | 4AHV | - | Z5P | C10 H11 N3 | c1ccc(c(c1.... |
147 | 4E1M | ic50 = 215 nM | TQ2 | C24 H27 N O3 | Cc1ccc(cc1.... |
148 | 5HRN | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 100 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0QX | 0.9143 |
2 | 00G | 0.9123 |
3 | JCQ | 0.9083 |
4 | 4YF | 0.9077 |
5 | C0V | 0.9071 |
6 | 5ER | 0.9069 |
7 | 5V0 | 0.9046 |
8 | G27 | 0.9040 |
9 | 7DE | 0.9033 |
10 | TVC | 0.9033 |
11 | AV7 | 0.9030 |
12 | 581 | 0.9018 |
13 | 5V3 | 0.8997 |
14 | JP3 | 0.8988 |
15 | BXS | 0.8988 |
16 | S2X | 0.8977 |
17 | EFX | 0.8977 |
18 | 41L | 0.8962 |
19 | 0RB | 0.8960 |
20 | 246 | 0.8959 |
21 | 43H | 0.8958 |
22 | F91 | 0.8948 |
23 | F41 | 0.8947 |
24 | P32 | 0.8933 |
25 | CMZ | 0.8918 |
26 | 14X | 0.8912 |
27 | 0DJ | 0.8905 |
28 | TRP GLY | 0.8884 |
29 | X8I | 0.8882 |
30 | 39R | 0.8877 |
31 | D9Q | 0.8872 |
32 | 55H | 0.8867 |
33 | 4K9 | 0.8864 |
34 | E2N | 0.8858 |
35 | 28C | 0.8855 |
36 | ZEA | 0.8851 |
37 | AV4 | 0.8849 |
38 | 9X0 | 0.8845 |
39 | C0E | 0.8843 |
40 | RKY | 0.8843 |
41 | 3RC | 0.8842 |
42 | 53N | 0.8838 |
43 | IM5 | 0.8837 |
44 | Q92 | 0.8837 |
45 | Q2S | 0.8830 |
46 | E7E | 0.8827 |
47 | 68C | 0.8821 |
48 | JP8 | 0.8818 |
49 | GJW | 0.8815 |
50 | ESJ | 0.8802 |
51 | 1V8 | 0.8798 |
52 | EEY | 0.8798 |
53 | JON | 0.8797 |
54 | DG | 0.8795 |
55 | 8M5 | 0.8795 |
56 | SNP | 0.8790 |
57 | 80R | 0.8786 |
58 | Q5M | 0.8784 |
59 | 4AJ | 0.8783 |
60 | HY7 | 0.8780 |
61 | M7O | 0.8778 |
62 | BZC | 0.8774 |
63 | 97K | 0.8774 |
64 | 4KN | 0.8773 |
65 | TKT | 0.8772 |
66 | M62 | 0.8765 |
67 | P9L | 0.8754 |
68 | 35K | 0.8752 |
69 | 6IP | 0.8750 |
70 | 0HV | 0.8748 |
71 | 4VC | 0.8745 |
72 | JVB | 0.8743 |
73 | 5MX | 0.8736 |
74 | IYX | 0.8726 |
75 | D59 | 0.8722 |
76 | PNX | 0.8720 |
77 | 9PP | 0.8718 |
78 | 6FX | 0.8713 |
79 | TMP | 0.8711 |
80 | YX0 | 0.8710 |
81 | C3G | 0.8709 |
82 | 205 | 0.8708 |
83 | 0NJ | 0.8707 |
84 | 8WW | 0.8705 |
85 | JWW | 0.8703 |
86 | WUL | 0.8698 |
87 | 9M9 | 0.8697 |
88 | PNJ | 0.8694 |
89 | F1T | 0.8693 |
90 | 1Q1 | 0.8693 |
91 | VM7 | 0.8692 |
92 | 4P9 | 0.8687 |
93 | 8OG | 0.8686 |
94 | FO2 | 0.8685 |
95 | 13F | 0.8676 |
96 | DGP | 0.8675 |
97 | WG8 | 0.8668 |
98 | 6Q9 | 0.8667 |
99 | 81Y | 0.8654 |
100 | E92 | 0.8650 |
101 | 5GP | 0.8648 |
102 | LZ7 | 0.8648 |
103 | A0R | 0.8647 |
104 | NAR | 0.8647 |
105 | 5R9 | 0.8643 |
106 | GA6 | 0.8640 |
107 | EBB | 0.8638 |
108 | 121 | 0.8637 |
109 | MT6 | 0.8635 |
110 | 0UC | 0.8635 |
111 | 7WD | 0.8633 |
112 | 1UA | 0.8632 |
113 | E98 | 0.8631 |
114 | T21 | 0.8629 |
115 | F9B | 0.8627 |
116 | B06 | 0.8623 |
117 | CAU | 0.8621 |
118 | IPL | 0.8619 |
119 | HH2 | 0.8618 |
120 | 9ME | 0.8615 |
121 | ATU | 0.8614 |
122 | 2PH | 0.8613 |
123 | 5RU | 0.8608 |
124 | SAQ | 0.8603 |
125 | JPW | 0.8593 |
126 | A5W | 0.8593 |
127 | M0S | 0.8592 |
128 | 5HG | 0.8582 |
129 | XEV | 0.8582 |
130 | 3N5 | 0.8580 |
131 | D5M | 0.8577 |
132 | GAL PHB | 0.8577 |
133 | PNW | 0.8573 |
134 | LIT | 0.8569 |
135 | I0D | 0.8552 |
136 | ZUF | 0.8542 |
137 | EXP | 0.8534 |
138 | KXN | 0.8532 |
139 | ENY | 0.8531 |
140 | LI4 | 0.8530 |
141 | LZ4 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 4e1n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4e1n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |