PDB ligand accession: VLB
DrugBank: DB00570
InChI Key: JXLYSJRDGCGARV-CFWMRBGOSA-N
SMILES: CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O
Drug action: binder
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Alkaloids and derivatives
- Class: Vinca alkaloids
- Subclass: None
- Class: Vinca alkaloids
- Superclass: Alkaloids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q71U36 | Download | Predicted | Q71U36_F1_nD2 Q71U36_F1_nD1 | Bacillus chorismate mutase-like Rossmann-like |
5JCO | Predicted | e5jcoH2 e5jcoE1 e5jcoF1 e5jcoA1 e5jcoB2 e5jcoG2 e5jcoH1 e5jcoE2 e5jcoF2 e5jcoA2 e5jcoB1 e5jcoG1 |