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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 6 families. | |||||
1 | 2GA2 | ic50 = 3 uM | A19 | C13 H9 Br Cl N O4 S | c1cc(ccc1S.... |
2 | 2ADU | Ki = 18 nM | R20 | C9 H9 N3 | Cc1cccc(c1.... |
3 | 7A14 | ic50 = 0.00000001 M | QVB | C18 H16 Cl F N2 O2 | CC(C)Oc1cc.... |
4 | 6QEI | - | HZE | C22 H24 F2 N4 O2 | CC(C)Oc1cc.... |
5 | 6QEF | ic50 = 0.06 uM | HZW | C18 H16 Cl F N2 O3 | c1ccc(cc1).... |
6 | 6QEJ | - | HZT | C14 H13 F N4 O2 S2 | c1cc(sc1)S.... |
7 | 6QEH | - | HZQ | C9 H6 Cl N O | c1cc2c(ccc.... |
8 | 7A12 | ic50 = 0.00000001 M | QVK | C15 H11 Cl N2 O | c1ccc(cc1).... |
9 | 7A16 | ic50 = 0.00000001 M | HZE | C22 H24 F2 N4 O2 | CC(C)Oc1cc.... |
10 | 1R58 | - | AO5 | C15 H22 Cl N3 O3 S | CC(C)SCC[C.... |
11 | 5JHU | - | 6KO | C18 H19 N5 O3 | COc1ccccc1.... |
12 | 1YW9 | ic50 = 0.019 uM | A84 | C22 H25 F N2 O4 S | CN(C)CC=C/.... |
13 | 2EA2 | ic50 = 0.016 uM | F77 | C16 H16 F N O4 S | CCc1ccc(c(.... |
14 | 7A15 | ic50 = 0.00000001 M | QV5 | C22 H24 Cl F N4 O2 | CC(C)Oc1cc.... |
15 | 6QEG | ic50 = 0.05 uM | K4K | C17 H18 N2 O3 S | c1ccc(cc1).... |
16 | 5LYX | ic50 = 0.038 uM | 7BF | C19 H18 N6 O | c1cc2cnccc.... |
17 | 5JI6 | ic50 = 0.011 uM | 6KN | C14 H10 F3 N3 | Cc1cnccc1c.... |
18 | 5JFR | ic50 = 5 nM | 6KP | C16 H11 F N6 | Cc1c(cc2c(.... |
19 | 5LYW | ic50 = 0.7 uM | 7BH | C17 H19 N5 O | Cc1ccccc1O.... |
20 | 1R5H | ic50 = 0.17 uM | AO2 | C17 H27 N3 O2 | Cc1ccc(cc1.... |
21 | 1YW7 | ic50 = 1.4 uM | A41 | C14 H13 N O4 S | Cc1ccc(c(c.... |
22 | 7A13 | - | QW5 | C16 H13 Cl N2 O2 | COc1cccc(c.... |
23 | 2EA4 | ic50 = 0.046 uM | F79 | C17 H19 F N2 O5 S | CCc1ccc(c(.... |
24 | 1R5G | - | AO1 | C19 H26 N2 O2 S | CCSCC[C@@H.... |
25 | 6QED | ic50 = 0.015 uM | HZK | C21 H19 Cl F N3 O4 | c1cc2c(cc1.... |
26 | 2OAZ | Ki = 2 nM | I96 | C16 H18 N4 S2 | CC(C)c1ccc.... |
27 | 1KQ9 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
28 | 1KQ0 | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
29 | 1QZY | ic50 ~ 800 nM | TDE | C18 H32 N2 O7 | CC(C)(C)C=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2GA2 | ic50 = 3 uM | A19 | C13 H9 Br Cl N O4 S | c1cc(ccc1S.... |
2 | 2ADU | Ki = 18 nM | R20 | C9 H9 N3 | Cc1cccc(c1.... |
3 | 7A14 | ic50 = 0.00000001 M | QVB | C18 H16 Cl F N2 O2 | CC(C)Oc1cc.... |
4 | 6QEI | - | HZE | C22 H24 F2 N4 O2 | CC(C)Oc1cc.... |
5 | 6QEF | ic50 = 0.06 uM | HZW | C18 H16 Cl F N2 O3 | c1ccc(cc1).... |
6 | 6QEJ | - | HZT | C14 H13 F N4 O2 S2 | c1cc(sc1)S.... |
7 | 6QEH | - | HZQ | C9 H6 Cl N O | c1cc2c(ccc.... |
8 | 7A12 | ic50 = 0.00000001 M | QVK | C15 H11 Cl N2 O | c1ccc(cc1).... |
9 | 7A16 | ic50 = 0.00000001 M | HZE | C22 H24 F2 N4 O2 | CC(C)Oc1cc.... |
10 | 1R58 | - | AO5 | C15 H22 Cl N3 O3 S | CC(C)SCC[C.... |
11 | 5JHU | - | 6KO | C18 H19 N5 O3 | COc1ccccc1.... |
12 | 1YW9 | ic50 = 0.019 uM | A84 | C22 H25 F N2 O4 S | CN(C)CC=C/.... |
13 | 2EA2 | ic50 = 0.016 uM | F77 | C16 H16 F N O4 S | CCc1ccc(c(.... |
14 | 7A15 | ic50 = 0.00000001 M | QV5 | C22 H24 Cl F N4 O2 | CC(C)Oc1cc.... |
15 | 6QEG | ic50 = 0.05 uM | K4K | C17 H18 N2 O3 S | c1ccc(cc1).... |
16 | 5LYX | ic50 = 0.038 uM | 7BF | C19 H18 N6 O | c1cc2cnccc.... |
17 | 5JI6 | ic50 = 0.011 uM | 6KN | C14 H10 F3 N3 | Cc1cnccc1c.... |
18 | 5JFR | ic50 = 5 nM | 6KP | C16 H11 F N6 | Cc1c(cc2c(.... |
19 | 5LYW | ic50 = 0.7 uM | 7BH | C17 H19 N5 O | Cc1ccccc1O.... |
20 | 1R5H | ic50 = 0.17 uM | AO2 | C17 H27 N3 O2 | Cc1ccc(cc1.... |
21 | 1YW7 | ic50 = 1.4 uM | A41 | C14 H13 N O4 S | Cc1ccc(c(c.... |
22 | 7A13 | - | QW5 | C16 H13 Cl N2 O2 | COc1cccc(c.... |
23 | 2EA4 | ic50 = 0.046 uM | F79 | C17 H19 F N2 O5 S | CCc1ccc(c(.... |
24 | 1R5G | - | AO1 | C19 H26 N2 O2 S | CCSCC[C@@H.... |
25 | 6QED | ic50 = 0.015 uM | HZK | C21 H19 Cl F N3 O4 | c1cc2c(cc1.... |
26 | 2OAZ | Ki = 2 nM | I96 | C16 H18 N4 S2 | CC(C)c1ccc.... |
27 | 1KQ9 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
28 | 1KQ0 | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
29 | 1QZY | ic50 ~ 800 nM | TDE | C18 H32 N2 O7 | CC(C)(C)C=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6KP | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ZO0 | 0.9053 |
2 | 4L6 | 0.9015 |
3 | KS1 | 0.9012 |
4 | AYN | 0.8996 |
5 | FE5 | 0.8978 |
6 | 7VF | 0.8978 |
7 | KS5 | 0.8963 |
8 | QW5 | 0.8938 |
9 | BK2 | 0.8910 |
10 | 7M5 | 0.8908 |
11 | 5PK | 0.8904 |
12 | 6BD | 0.8889 |
13 | FHI | 0.8882 |
14 | RVA | 0.8877 |
15 | 3RR | 0.8877 |
16 | 4OZ | 0.8867 |
17 | OJ7 | 0.8862 |
18 | 53X | 0.8847 |
19 | Q27 | 0.8847 |
20 | M0Y | 0.8839 |
21 | ELH | 0.8829 |
22 | EZB | 0.8823 |
23 | 5UU | 0.8804 |
24 | BIE | 0.8789 |
25 | 21E | 0.8787 |
26 | 7M2 | 0.8777 |
27 | BNY | 0.8746 |
28 | KOM | 0.8742 |
29 | ABJ | 0.8741 |
30 | PP1 | 0.8740 |
31 | Q9G | 0.8738 |
32 | 1VO | 0.8729 |
33 | 3RH | 0.8724 |
34 | MEX | 0.8719 |
35 | 3KC | 0.8709 |
36 | NPZ | 0.8705 |
37 | 74Z | 0.8701 |
38 | EUN | 0.8700 |
39 | 4K2 | 0.8699 |
40 | T62 | 0.8691 |
41 | 6UI | 0.8689 |
42 | Q20 | 0.8688 |
43 | A4F | 0.8679 |
44 | J47 | 0.8679 |
45 | PP2 | 0.8674 |
46 | YJX | 0.8673 |
47 | U01 | 0.8667 |
48 | S0K | 0.8667 |
49 | JYM | 0.8656 |
50 | 25Q | 0.8655 |
51 | YE5 | 0.8651 |
52 | 6XC | 0.8645 |
53 | LU2 | 0.8645 |
54 | 1VM | 0.8638 |
55 | LM7 | 0.8635 |
56 | AGI | 0.8615 |
57 | HO4 | 0.8608 |
58 | 3RQ | 0.8606 |
59 | NE8 | 0.8602 |
60 | RDL | 0.8593 |
61 | KMP | 0.8582 |
62 | YK9 | 0.8578 |
63 | I0D | 0.8572 |
64 | BK1 | 0.8570 |
65 | 1VN | 0.8568 |
66 | YJD | 0.8566 |
67 | M23 | 0.8559 |
68 | AKD | 0.8552 |
69 | 5UX | 0.8550 |
70 | QQX | 0.8546 |
71 | AJD | 0.8541 |
72 | G7A | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 7a16.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3L24 | GOA | 2.42588 |
2 | 3L24 | GOA | 2.42588 |