PDB ligand accession: AOQ
DrugBank: DB01117
InChI Key: KUCQYCKVKVOKAY-CTYIDZIISA-N
SMILES: c1ccc2c(c1)C(=O)C(=C(C2=O)O)C3CCC(CC3)c4ccc(cc4)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthoquinones
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q02127 | Download | Predicted | Q02127_F1_nD1 | TIM beta/alpha-barrel |
1D3G | Predicted | e1d3gA1 | ||
1D3H | Predicted | e1d3hA1 | ||
2B0M | Predicted | e2b0mA1 | ||
2BXV | Predicted | e2bxvA1 | ||
2FPT | Predicted | e2fptA1 | ||
2FPV | Predicted | e2fpvA1 | ||
2FPY | Predicted | e2fpyA1 | ||
2FQI | Predicted | e2fqiA1 | ||
2PRH | Predicted | e2prhA1 | ||
2PRL | Predicted | e2prlA1 | ||
2PRM | Predicted | e2prmA1 | ||
2WV8 | Predicted | e2wv8A1 | ||
3F1Q | Predicted | e3f1qA1 | ||
3FJ6 | Predicted | e3fj6A1 | ||
3FJL | Predicted | e3fjlA1 | ||
3G0U | Predicted | e3g0uA1 | ||
3G0X | Predicted | e3g0xA1 | ||
3KVJ | Predicted | e3kvjA1 | ||
3KVK | Predicted | e3kvkA1 | ||
3KVL | Predicted | e3kvlA1 | ||
3KVM | Predicted | e3kvmA1 | ||
3U2O | Predicted | e3u2oA1 | ||
3W7R | Predicted | e3w7rA1 | ||
3ZWS | Predicted | e3zwsA1 | ||
3ZWT | Predicted | e3zwtA1 | ||
4IGH | Predicted | e4ighA1 | ||
4JGD | Predicted | e4jgdA1 | ||
4JS3 | Predicted | e4js3A1 | ||
4JTS | Predicted | e4jtsA1 | ||
4JTT | Predicted | e4jttA1 | ||
4JTU | Predicted | e4jtuA1 | ||
4LS0 | Predicted | e4ls0A1 | ||
4LS1 | Predicted | e4ls1A1 | ||
4LS2 | Predicted | e4ls2A1 | ||
4OQV | Predicted | e4oqvA1 | ||
4RK8 | Predicted | e4rk8A1 | ||
4RKA | Predicted | e4rkaA1 | ||
4RLI | Predicted | e4rliA1 | ||
4RR4 | Predicted | e4rr4A1 | ||
4YLW | Predicted | e4ylwA1 | ||
4ZL1 | Predicted | e4zl1A1 | ||
4ZMG | Predicted | e4zmgA1 | ||
5H2Z | Predicted | e5h2zA1 | ||
5H73 | Predicted | e5h73A1 | ||
5HIN | Predicted | e5hinA1 | ||
5HQE | Predicted | e5hqeA1 | ||
5K9C | Predicted | e5k9cA1 | ||
5K9D | Predicted | e5k9dA1 | ||
5MUT | Predicted | e5mutA1 | ||
5MVC | Predicted | e5mvcA1 | ||
5MVD | Predicted | e5mvdA1 | ||
5ZF4 | Predicted | e5zf4A1 | ||
5ZF7 | Predicted | e5zf7A1 | ||
5ZF8 | Predicted | e5zf8A1 | ||
5ZF9 | Predicted | e5zf9A1 | ||
5ZFA | Predicted | e5zfaA1 | ||
5ZFB | Predicted | e5zfbA1 | ||
6CJF | Predicted | e6cjfA1 e6cjfB1 | ||
6CJG | Predicted | e6cjgA1 | ||
6ET4 | Predicted | e6et4A1 | ||
6FMD | Predicted | e6fmdA1 | ||
6GK0 | Predicted | e6gk0A1 | ||
6IDJ | Predicted | e6idjA1 | ||
6J3B | Predicted | e6j3bA1 | ||
6J3C | Predicted | e6j3cA1 | ||
6OC0 | Predicted | e6oc0A1 | ||
6OC1 | Predicted | e6oc1A1 | ||
6QU7 | Predicted | e6qu7A1 | ||
6SYP | Predicted | e6sypAAA1 |