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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 28 families. | |||||
1 | 4WH9 | ic50 = 2.2 mM | 3M8 | C9 H8 F N O4 S2 | c1c(cc(c(c.... |
2 | 4WH7 | ic50 > 5 mM | 8H8 | C7 H4 F N O | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 4WH9 | ic50 = 2.2 mM | 3M8 | C9 H8 F N O4 S2 | c1c(cc(c(c.... |
2 | 4WH7 | ic50 > 5 mM | 8H8 | C7 H4 F N O | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3M8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1VQ | 0.9211 |
2 | NPL | 0.9130 |
3 | 4MX | 0.9117 |
4 | Q5M | 0.9089 |
5 | PMP | 0.9072 |
6 | HWH | 0.9053 |
7 | PLP | 0.9049 |
8 | ASE | 0.9031 |
9 | NW1 | 0.9030 |
10 | 3JC | 0.9007 |
11 | EBQ | 0.8997 |
12 | AUY | 0.8959 |
13 | 2VQ | 0.8952 |
14 | MBP | 0.8923 |
15 | G6P | 0.8884 |
16 | LQG | 0.8868 |
17 | J5B | 0.8864 |
18 | AC2 | 0.8860 |
19 | E9S | 0.8854 |
20 | FUZ | 0.8835 |
21 | 3IB | 0.8828 |
22 | ML1 | 0.8792 |
23 | ML2 | 0.8778 |
24 | BG6 | 0.8773 |
25 | OSB | 0.8773 |
26 | PXP | 0.8759 |
27 | M6D | 0.8758 |
28 | EVO | 0.8755 |
29 | PE2 | 0.8744 |
30 | 3AK | 0.8743 |
31 | PZP | 0.8743 |
32 | APQ | 0.8742 |
33 | PLR | 0.8733 |
34 | B2E | 0.8732 |
35 | FIP | 0.8729 |
36 | UN4 | 0.8693 |
37 | HPT | 0.8692 |
38 | 9E3 | 0.8689 |
39 | ZIP | 0.8689 |
40 | TOM | 0.8684 |
41 | CMU | 0.8683 |
42 | 4R1 | 0.8675 |
43 | LLG | 0.8674 |
44 | 5WN | 0.8654 |
45 | CMG | 0.8652 |
46 | CRZ | 0.8648 |
47 | 3LJ | 0.8643 |
48 | ZEZ | 0.8639 |
49 | A4V | 0.8619 |
50 | HHV | 0.8617 |
51 | 4TX | 0.8616 |
52 | S0I | 0.8613 |
53 | AEY | 0.8609 |
54 | JY2 | 0.8596 |
55 | AIQ | 0.8592 |
56 | IAG | 0.8585 |
57 | QIF | 0.8578 |
58 | WA2 | 0.8573 |
59 | GT1 | 0.8564 |
60 | P0P | 0.8562 |
61 | TOH | 0.8548 |
62 | 4WF | 0.8545 |
63 | NZ9 | 0.8537 |
64 | 8BD | 0.8530 |
65 | L12 | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 4wh9.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |