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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 41 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | X1E | 0.9145 |
2 | BGC | 0.8920 |
3 | Q7A | 0.8874 |
4 | GLC | 0.8828 |
5 | TVP | 0.8827 |
6 | IBM | 0.8816 |
7 | 8VN | 0.8807 |
8 | GYP | 0.8804 |
9 | BMA | 0.8784 |
10 | GLT | 0.8784 |
11 | MT5 | 0.8782 |
12 | KBG | 0.8780 |
13 | SHG | 0.8772 |
14 | CTS | 0.8761 |
15 | GCS | 0.8756 |
16 | AMG | 0.8750 |
17 | PRF | 0.8749 |
18 | CFF | 0.8749 |
19 | GAL | 0.8746 |
20 | 3Z8 | 0.8741 |
21 | PQ0 | 0.8736 |
22 | SRO | 0.8734 |
23 | LGC | 0.8731 |
24 | 0P6 | 0.8731 |
25 | GOX | 0.8731 |
26 | 3CU | 0.8728 |
27 | MA3 | 0.8725 |
28 | MBG | 0.8722 |
29 | G3F | 0.8722 |
30 | GCB | 0.8714 |
31 | NTZ | 0.8713 |
32 | PH2 | 0.8710 |
33 | 8S0 | 0.8707 |
34 | GLY PRO | 0.8705 |
35 | PFB | 0.8703 |
36 | B5D | 0.8688 |
37 | QX4 | 0.8687 |
38 | 44V | 0.8685 |
39 | 7B3 | 0.8677 |
40 | HHR | 0.8670 |
41 | MAN | 0.8669 |
42 | B62 | 0.8668 |
43 | GIV | 0.8657 |
44 | LOG | 0.8656 |
45 | KJM | 0.8647 |
46 | 5WU | 0.8645 |
47 | 5WX | 0.8638 |
48 | DQU | 0.8637 |
49 | GCU | 0.8625 |
50 | GCV | 0.8622 |
51 | BDP | 0.8620 |
52 | MMA | 0.8619 |
53 | 4TE | 0.8617 |
54 | H6B | 0.8617 |
55 | NBG | 0.8616 |
56 | CBF | 0.8615 |
57 | 9PY | 0.8615 |
58 | FSW | 0.8613 |
59 | 57O | 0.8610 |
60 | GLG | 0.8606 |
61 | SXS | 0.8599 |
62 | OA3 | 0.8592 |
63 | IPT | 0.8589 |
64 | 94B | 0.8577 |
65 | 5WY | 0.8559 |
66 | Q77 | 0.8559 |
67 | EVA | 0.8557 |
68 | ALL | 0.8556 |
69 | 95Z | 0.8542 |
70 | ZWZ | 0.8540 |
71 | MWP | 0.8540 |
72 | PA1 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |