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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 1331 families. | |||||
1 | 4V2Z | - | Y70 | C13 H11 N3 O4 | c1cc2c(c(c.... |
2 | 6R11 | Ki = 12 uM | JOB | C12 H9 N3 O4 | c1cc2c(cc1.... |
3 | 5AMJ | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
4 | 6R0V | - | JO2 | C12 H9 N3 O7 | c1cc(c(cc1.... |
5 | 6R19 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
6 | 6R0U | - | JO8 | C12 H11 N3 O5 | c1cc(c(c(c.... |
7 | 6R0Q | - | JNW | C13 H12 N2 O5 | c1ccc(c(c1.... |
8 | 6R0S | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
9 | 6R12 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
10 | 6R1C | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
11 | 6R1X | - | JPQ | C9 H12 N2 O3 | CC(=CC(=O).... |
12 | 6R1K | Ki = 9 uM | JPB | C11 H7 Cl3 N2 O3 | c1c(cc(c(c.... |
13 | 4V2Y | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
14 | 5AMI | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
15 | 6R1A | - | JP8 | C11 H17 N3 O4 | C1C[C@@H](.... |
16 | 6R1D | Ki = 4 uM | JP5 | C12 H12 N2 O4 | c1ccc(cc1).... |
17 | 4V30 | - | LVY | C13 H13 N3 O3 | c1cc2c(c(c.... |
18 | 6R18 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
19 | 4V32 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
20 | 6R13 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
21 | 6R1W | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
22 | 5AMH | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
23 | 4V31 | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4V2Z | - | Y70 | C13 H11 N3 O4 | c1cc2c(c(c.... |
2 | 6R11 | Ki = 12 uM | JOB | C12 H9 N3 O4 | c1cc2c(cc1.... |
3 | 5AMJ | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
4 | 6R0V | - | JO2 | C12 H9 N3 O7 | c1cc(c(cc1.... |
5 | 6R19 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
6 | 6R0U | - | JO8 | C12 H11 N3 O5 | c1cc(c(c(c.... |
7 | 6R0Q | - | JNW | C13 H12 N2 O5 | c1ccc(c(c1.... |
8 | 6R0S | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
9 | 6R12 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
10 | 6R1C | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
11 | 6R1X | - | JPQ | C9 H12 N2 O3 | CC(=CC(=O).... |
12 | 6R1K | Ki = 9 uM | JPB | C11 H7 Cl3 N2 O3 | c1c(cc(c(c.... |
13 | 4V2Y | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
14 | 5AMI | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
15 | 6R1A | - | JP8 | C11 H17 N3 O4 | C1C[C@@H](.... |
16 | 6R1D | Ki = 4 uM | JP5 | C12 H12 N2 O4 | c1ccc(cc1).... |
17 | 4V30 | - | LVY | C13 H13 N3 O3 | c1cc2c(c(c.... |
18 | 6R18 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
19 | 4V32 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
20 | 6R13 | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
21 | 6R1W | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
22 | 5AMH | - | EF2 | C13 H10 N2 O4 | c1ccc2c(c1.... |
23 | 4V31 | - | DUR | C9 H12 N2 O5 | C1[C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SVG | 0.9367 |
2 | IPJ | 0.9248 |
3 | WDU | 0.9190 |
4 | OGY | 0.9185 |
5 | N0H | 0.9124 |
6 | JP8 | 0.9111 |
7 | HCC | 0.9105 |
8 | Q86 | 0.9063 |
9 | QTK | 0.9054 |
10 | 1V6 | 0.9045 |
11 | S45 | 0.9034 |
12 | F41 | 0.9021 |
13 | 41L | 0.9007 |
14 | BZM | 0.9001 |
15 | REG | 0.8996 |
16 | L02 | 0.8992 |
17 | PHQ ALA | 0.8990 |
18 | 00G | 0.8989 |
19 | PHQ THR | 0.8963 |
20 | 0OM | 0.8945 |
21 | 4Z0 | 0.8934 |
22 | 0MB | 0.8930 |
23 | PB2 | 0.8928 |
24 | OA5 | 0.8927 |
25 | JPW | 0.8910 |
26 | HPX | 0.8901 |
27 | CT0 | 0.8900 |
28 | TBJ | 0.8882 |
29 | OH4 | 0.8869 |
30 | JF5 | 0.8865 |
31 | 4KN | 0.8858 |
32 | NX6 | 0.8851 |
33 | BUN | 0.8846 |
34 | BSU | 0.8845 |
35 | ZW2 | 0.8841 |
36 | 4P9 | 0.8839 |
37 | 5WK | 0.8832 |
38 | 1Q2 | 0.8831 |
39 | 4VC | 0.8829 |
40 | A21 | 0.8821 |
41 | HL6 | 0.8817 |
42 | 9W8 | 0.8816 |
43 | U73 | 0.8809 |
44 | CMZ | 0.8798 |
45 | 20P | 0.8791 |
46 | G50 | 0.8784 |
47 | S0B | 0.8776 |
48 | 8WW | 0.8774 |
49 | 5NR | 0.8771 |
50 | F7L | 0.8757 |
51 | HPK | 0.8753 |
52 | GYZ | 0.8742 |
53 | PHQ DTH | 0.8741 |
54 | L12 | 0.8734 |
55 | JVB | 0.8730 |
56 | A0R | 0.8720 |
57 | 9RK | 0.8714 |
58 | N5B | 0.8713 |
59 | HPZ | 0.8709 |
60 | F91 | 0.8705 |
61 | H6E | 0.8693 |
62 | SU7 | 0.8690 |
63 | M62 | 0.8686 |
64 | BP5 | 0.8681 |
65 | PHQ ASP | 0.8679 |
66 | BXB | 0.8678 |
67 | 2OX | 0.8675 |
68 | HRS | 0.8673 |
69 | DI9 | 0.8661 |
70 | CIU | 0.8659 |
71 | A9E | 0.8650 |
72 | F6W | 0.8622 |
73 | RE2 | 0.8617 |
74 | IGP | 0.8606 |
75 | F5N | 0.8606 |
76 | D25 | 0.8570 |
77 | QTD | 0.8569 |
78 | 4V5 | 0.8558 |
79 | 0QR | 0.8557 |
80 | 87F | 0.8546 |
81 | UMP | 0.8535 |
82 | BFL | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 6r1d.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6r1d.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |