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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 20 families. | |||||
1 | 4JFK | Kd = 0.36 uM | JFK | C25 H29 N3 O7 S2 | COc1ccc(cc.... |
2 | 4JFJ | Ki = 2.1 uM | 1KU | C25 H29 N3 O6 S2 | COc1ccc(cc.... |
3 | 4DRO | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
4 | 6TXX | - | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
5 | 6TX7 | Kd = 2.7 nM | V1L | C5 H9 N O | C1CCNC(=O).... |
6 | 6SAF | Ki = 0.23 uM | L2Q | C40 H54 N2 O8 | COc1ccc(cc.... |
7 | 4DRP | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
8 | 6TX4 | Kd = 1.3 nM | HRZ | C5 H5 N O | C1=CC(=O)N.... |
9 | 4TX0 | Ki = 132 nM | 384 | C20 H28 Cl2 N2 O6 S | COCCN1C[C@.... |
10 | 6TX5 | Kd = 2.9 nM | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
11 | 4DRQ | ic50 = 22.6 uM | 0OS | C31 H33 Cl2 N O9 S | COc1ccc(cc.... |
12 | 4W9O | - | 3JQ | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
13 | 4TW6 | Ki = 61000 nM | 37L | C39 H47 N O11 | COc1ccc(cc.... |
14 | 4JFI | Ki = 18.1 uM | 1KT | C28 H32 N2 O8 | COc1cc2c(c.... |
15 | 5OBK | - | 9QN | C21 H23 Cl2 N3 O4 S | c1ccnc(c1).... |
16 | 4JFL | Kd = 10.5 uM | 1KY | C24 H27 N3 O7 S2 | COc1ccc(cc.... |
17 | 4W9Q | - | 3JP | C26 H32 Cl2 N2 O6 S | CC[C@H]1CN.... |
18 | 5DIT | Ki = 0.7 uM | 5B8 | C39 H56 N2 O8 | C[C@H]([C@.... |
19 | 5BXJ | Kd = 0.000227 M | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
20 | 5DIU | Ki = 0.043 uM | 5BG | C42 H54 N2 O10 | COc1ccc(cc.... |
21 | 3O5R | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
22 | 4W9P | - | 3JR | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
23 | 4JFM | Kd = 3.3 uM | 1KZ | C23 H26 N2 O8 S2 | COc1ccc(cc.... |
24 | 6TX9 | - | HYN | C3 H4 N2 O2 | C1C(=O)NC(.... |
25 | 4DRM | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
26 | 4DRK | ic50 = 8.36 uM | I63 | C32 H41 N O9 | CCC(C)(C)C.... |
27 | 6TX6 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
28 | 5DIV | Ki = 0.14 uM | 5BH | C29 H43 N3 O6 | COc1cc(cc(.... |
29 | 4DRN | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
30 | 4TW7 | Ki = 26 nM | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 1PBK | Ki = 0.9 nM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
2 | 5D75 | Ki = 200 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
3 | 4JFJ | Ki = 2.1 uM | 1KU | C25 H29 N3 O6 S2 | COc1ccc(cc.... |
4 | 4DRO | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
5 | 6TXX | - | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
6 | 6TX7 | Kd = 2.7 nM | V1L | C5 H9 N O | C1CCNC(=O).... |
7 | 6SAF | Ki = 0.23 uM | L2Q | C40 H54 N2 O8 | COc1ccc(cc.... |
8 | 4DRP | ic50 = 3.9 uM | 0MD | C35 H45 N O10 | CC[C@H]1CC.... |
9 | 6TX4 | Kd = 1.3 nM | HRZ | C5 H5 N O | C1=CC(=O)N.... |
10 | 4TX0 | Ki = 132 nM | 384 | C20 H28 Cl2 N2 O6 S | COCCN1C[C@.... |
11 | 6TX5 | Kd = 2.9 nM | 4MZ | C4 H6 N2 | Cc1c[nH]cn.... |
12 | 4DRQ | ic50 = 22.6 uM | 0OS | C31 H33 Cl2 N O9 S | COc1ccc(cc.... |
13 | 4W9O | - | 3JQ | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
14 | 4TW6 | Ki = 61000 nM | 37L | C39 H47 N O11 | COc1ccc(cc.... |
15 | 4JFI | Ki = 18.1 uM | 1KT | C28 H32 N2 O8 | COc1cc2c(c.... |
16 | 5OBK | - | 9QN | C21 H23 Cl2 N3 O4 S | c1ccnc(c1).... |
17 | 4JFL | Kd = 10.5 uM | 1KY | C24 H27 N3 O7 S2 | COc1ccc(cc.... |
18 | 4W9Q | - | 3JP | C26 H32 Cl2 N2 O6 S | CC[C@H]1CN.... |
19 | 5DIT | Ki = 0.7 uM | 5B8 | C39 H56 N2 O8 | C[C@H]([C@.... |
20 | 5BXJ | Kd = 0.000227 M | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
21 | 5DIU | Ki = 0.043 uM | 5BG | C42 H54 N2 O10 | COc1ccc(cc.... |
22 | 3O5R | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
23 | 4W9P | - | 3JR | C26 H32 Cl2 N2 O8 S | COc1ccc(cc.... |
24 | 4JFM | Kd = 3.3 uM | 1KZ | C23 H26 N2 O8 S2 | COc1ccc(cc.... |
25 | 6TX9 | - | HYN | C3 H4 N2 O2 | C1C(=O)NC(.... |
26 | 4DRM | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
27 | 4DRK | ic50 = 8.36 uM | I63 | C32 H41 N O9 | CCC(C)(C)C.... |
28 | 6TX6 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
29 | 5DIV | Ki = 0.14 uM | 5BH | C29 H43 N3 O6 | COc1cc(cc(.... |
30 | 4DRN | ic50 = 5.8 uM | 0MC | C35 H45 N O10 | CC[C@@H]1C.... |
31 | 4TW7 | Ki = 26 nM | 37K | C46 H60 N2 O10 | COc1ccc(cc.... |
32 | 2DG9 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
33 | 1D7J | Kd = 500 uM | BUQ | C4 H8 O2 | CC(=O)CCO |
34 | 1BKF | Ki = 2.1 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
35 | 2FKE | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
36 | 1QPF | ic50 = 27 nM | 858 | C53 H78 N2 O12 | CC[C@@H]1C.... |
37 | 1FKJ | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
38 | 1J4H | - | SUB | C23 H28 N2 O5 S2 | CCOC(=O)C(.... |
39 | 1FKF | Kd = 0.4 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
40 | 2DG3 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
41 | 1FKI | Ki = 100 nM | SB1 | C24 H39 N O6 | CC1(COC(=O.... |
42 | 1FKL | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
43 | 1FKH | Ki = 7 nM | SBX | C28 H41 N O4 | CCC(C)(C)C.... |
44 | 1A7X | Kd = 0.2 nM | FKA | C51 H76 N2 O14 | C[C@@H]1C[.... |
45 | 1D7I | Kd = 250 uM | DSS | C3 H8 O S2 | CSC[S@@](=.... |
46 | 1FKB | Kd = 0.2 nM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
47 | 1FKG | Ki = 10 nM | SB3 | C28 H35 N O4 | CCC(C)(C)C.... |
48 | 1J4I | - | TST | C18 H26 N2 O5 S2 | Cc1ccc(cc1.... |
49 | 1BL4 | ic50 = 1.8 nM | AP1 | C38 H47 N O11 | CC[C@@H](c.... |
50 | 1FKD | - | 818 | C43 H69 N O13 | CC[C@@H]1C.... |
51 | 2DG4 | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
52 | 1J4R | Ki = 0.019 uM | 001 | C35 H42 F2 N2 O6 | COc1cc(cc(.... |
53 | 1C9H | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
54 | 5HKG | - | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
55 | 4J4O | - | D44 | C16 H16 N4 O S | CCc1ccccc1.... |
56 | 3IHZ | ic50 = 160 nM | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
57 | 2VN1 | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
58 | 4QT2 | ic50 = 0.48 uM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
59 | 4QT3 | ic50 = 0.48 uM | RAP | C51 H79 N O13 | C[C@@H]1CC.... |
60 | 5HWC | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
61 | 5HUA | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
62 | 1YAT | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
63 | 6J2M | - | FK5 | C44 H69 N O12 | C[C@@H]1C[.... |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 6tx4.bio1) has 3 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6tx4.bio1) has 27 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |