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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 7 families. | |||||
1 | 1FJ4 | Kd = 26 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
2 | 2AQ7 | ic50 = 500 uM | TL5 | C12 H16 O2 S | CC=CC(=C[C.... |
3 | 2VB8 | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
4 | 2AQB | ic50 = 500 uM | TL6 | C10 H12 O2 S | CC1=C([C@@.... |
5 | 2VBA | Kd = 25 uM | P4T | C12 H12 N2 O S | Cc1c(sc(n1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5W2P | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
2 | 4C71 | Ki = 384 uM | 7RD | C14 H19 N3 O2 S | C/C(=C[C@@.... |
3 | 4C6W | - | M7U | C38 H75 O8 P | CCCCCCCCCC.... |
4 | 6P9K | - | O6G | C14 H17 N3 O2 S | CCCCS(=O)(.... |
5 | 5LD8 | Kd = 9 nM | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
6 | 4C72 | Ki = 8.2 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
7 | 5W2S | - | KMG | C12 H17 N3 O2 S | CCCCS(=O)(.... |
8 | 4C6U | Kd = 25.6 uM | TLG | C12 H14 O3 S | C/C(=C/[C@.... |
9 | 4C6X | Ki = 175.4 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
10 | 6P9M | - | O6J | C15 H19 N3 O2 S | CCCCCS(=O).... |
11 | 4C70 | Ki = 305 uM | TLJ | C13 H18 O2 S | CCCC1=C([C.... |
12 | 2WGG | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
13 | 2WGE | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
14 | 5W2O | - | TCE | C9 H15 O6 P | C(CP(CCC(=.... |
15 | 5W2Q | - | 6U5 | C12 H17 N3 O2 S | CCCCS(=O)(.... |
16 | 6P9L | - | JFX | C12 H16 F N3 O2 S | Cc1c2cc(cc.... |
17 | 4C73 | Ki = 12.1 uM | TLH | C12 H11 F3 O3 S | C/C(=C[C@@.... |
18 | 4C6Z | Ki = 357 uM | TLE | C12 H16 O2 S | CCC1=C([C@.... |
19 | 3G11 | - | P9C | C30 H33 N O7 | C[C@]12C[C.... |
20 | 3I8P | ic50 = 19 nM | 840 | C24 H25 N O8 | C[C@@]1([C.... |
21 | 3HO2 | ic50 = 113 nM | N32 | C24 H27 N O6 | C[C@@]1([C.... |
22 | 3HO9 | ic50 = 789 nM | N3A | C24 H27 N O7 | C[C@@]1([C.... |
23 | 4LS7 | - | 1X9 | C12 H17 N O3 | C/C=C/C/C=.... |
24 | 1FJ4 | Kd = 26 uM | TLM | C11 H14 O2 S | CC1=C([C@@.... |
25 | 2AQ7 | ic50 = 500 uM | TL5 | C12 H16 O2 S | CC=CC(=C[C.... |
26 | 2VB8 | - | TLM | C11 H14 O2 S | CC1=C([C@@.... |
27 | 2AQB | ic50 = 500 uM | TL6 | C10 H12 O2 S | CC1=C([C@@.... |
28 | 2VBA | Kd = 25 uM | P4T | C12 H12 N2 O S | Cc1c(sc(n1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TLE | 0.9510 |
2 | XK0 | 0.9291 |
3 | TLG | 0.9279 |
4 | NHT | 0.9092 |
5 | TLJ | 0.9085 |
6 | FSA | 0.9048 |
7 | NB1 | 0.9025 |
8 | KYN | 0.8965 |
9 | N2Y | 0.8925 |
10 | GCO | 0.8869 |
11 | S8D | 0.8865 |
12 | IAG | 0.8860 |
13 | JXQ | 0.8858 |
14 | TB8 | 0.8806 |
15 | 22F | 0.8803 |
16 | I2E | 0.8785 |
17 | ZIP | 0.8784 |
18 | 3IP | 0.8764 |
19 | CS2 | 0.8761 |
20 | 3H2 | 0.8758 |
21 | NBB | 0.8715 |
22 | ZYC | 0.8711 |
23 | BDI | 0.8705 |
24 | TCC | 0.8697 |
25 | DAH | 0.8682 |
26 | IOP | 0.8680 |
27 | FER | 0.8674 |
28 | JD7 | 0.8669 |
29 | A6H | 0.8658 |
30 | ZEA | 0.8655 |
31 | KG1 | 0.8642 |
32 | TCL | 0.8640 |
33 | OSB | 0.8633 |
34 | JF1 | 0.8629 |
35 | EXY | 0.8629 |
36 | TYR | 0.8620 |
37 | DCN | 0.8620 |
38 | LL2 | 0.8605 |
39 | N7I | 0.8597 |
40 | EXR | 0.8576 |
41 | JPB | 0.8569 |
42 | 4WF | 0.8556 |
43 | HLP | 0.8553 |
44 | PLR | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 2vba.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |