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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 1 families. | |||||
1 | 1N22 | - | 7A8 | C9 H17 N | CC1=CC[C@@.... |
2 | 1N20 | - | 3AG | C9 H18 N O7 P2 | CC(=CCC[N@.... |
3 | 1N23 | - | 2BN | C9 H17 N | CC1([C@@H].... |
4 | 1N24 | - | BP2 | C10 H17 O7 P2 | CC1([C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1N22 | - | 7A8 | C9 H17 N | CC1=CC[C@@.... |
2 | 1N20 | - | 3AG | C9 H18 N O7 P2 | CC(=CCC[N@.... |
3 | 1N23 | - | 2BN | C9 H17 N | CC1([C@@H].... |
4 | 1N24 | - | BP2 | C10 H17 O7 P2 | CC1([C@@H].... |
5 | 3M02 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
6 | 3LZ9 | - | FPF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
7 | 4RNQ | - | A4S | C16 H25 N O7 P2 | C/C(=CCOP(.... |
8 | 5IKH | - | 6BW | C15 H24 | C[C@@H]1CC.... |
9 | 5IK6 | - | CRE | C15 H24 | CC1=CCCC(=.... |
10 | 5EAU | - | FFF | C15 H25 F3 O7 P2 | CC(=CCC/C(.... |
11 | 1HXA | - | FHP | C15 H27 O4 P | CC(=CCC/C(.... |
12 | 5IK0 | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
13 | 3M00 | - | 2CF | C15 H27 F O7 P2 | CC(=CCC/C(.... |
14 | 6O9P | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
15 | 5UV1 | Ki = 2.4 uM | 0FV | C10 H19 F O7 P2 | CC(=CCC/C(.... |
16 | 5UV2 | Ki = 39.5 uM | LA6 | C10 H19 F O7 P2 | CC(=CCC/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2BN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CAE | 1.0000 |
2 | CAM | 0.9750 |
3 | TCM | 0.9596 |
4 | CNL | 0.9444 |
5 | CAH | 0.9387 |
6 | PAV | 0.9321 |
7 | 4PW | 0.9268 |
8 | ADM | 0.9261 |
9 | SVJ | 0.9216 |
10 | QFH | 0.9188 |
11 | 308 | 0.9152 |
12 | 23B | 0.9087 |
13 | TLA | 0.9077 |
14 | HZP | 0.9073 |
15 | WTZ | 0.9062 |
16 | 3DY | 0.9054 |
17 | NCM | 0.9040 |
18 | TMH | 0.9027 |
19 | BMA | 0.9005 |
20 | AHR | 0.9000 |
21 | 3SY | 0.8992 |
22 | PBE | 0.8986 |
23 | BDR | 0.8984 |
24 | RIP | 0.8944 |
25 | 0MK | 0.8927 |
26 | ADO | 0.8913 |
27 | IFL | 0.8888 |
28 | FMS | 0.8883 |
29 | 8EZ | 0.8880 |
30 | RUU | 0.8865 |
31 | TAR | 0.8844 |
32 | 32O | 0.8837 |
33 | TNE | 0.8830 |
34 | 3ZQ | 0.8827 |
35 | UYA | 0.8807 |
36 | PAF | 0.8776 |
37 | PTO | 0.8771 |
38 | XYS | 0.8764 |
39 | DXX | 0.8696 |
40 | 4DX | 0.8666 |
41 | FAC | 0.8660 |
42 | VAL | 0.8656 |
43 | THR | 0.8654 |
44 | FUL | 0.8622 |
45 | BFM | 0.8597 |
46 | TZZ | 0.8593 |
47 | HLT | 0.8580 |
48 | RP7 | 0.8544 |
49 | 1U5 | 0.8540 |
50 | OFQ | 0.8539 |
51 | FPK | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 1n20.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1n20.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |