PDB ligand accession: BIA
DrugBank: DB03336
InChI Key: KVIVJQWOYSWCCZ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P21964 | Download | Predicted | P21964_F1_nD1 | Rossmann-like |
3A7E | Predicted | e3a7eA1 | ||
3BWM | Predicted | e3bwmA1 | ||
3BWY | Predicted | e3bwyA1 | ||
4PYI | Predicted | e4pyiA1 | ||
4PYJ | Predicted | e4pyjA1 | ||
4PYK | Predicted | e4pykA1 | ||
4XUC | Predicted | e4xucA1 | ||
4XUD | Predicted | e4xudA1 | ||
4XUE | Predicted | e4xueB1 e4xueA1 | ||
5LSA | Predicted | e5lsaA1 | ||
6I3C | Predicted | e6i3cA1 | ||
6I3D | Predicted | e6i3dB1 e6i3dA1 |