PDB ligand accession: R1Q
DrugBank: DB00541
InChI Key: OGWKCGZFUXNPDA-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=O)C(=O)OC)O
Drug action: inhibitor
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 |
---|---|---|---|---|
P07437 | Download | Predicted | P07437_F1_nD1 P07437_F1_nD2 | Rossmann-like Bacillus chorismate mutase-like |
5N5N | Predicted | e5n5nB1 e5n5nA2 e5n5nC1 e5n5nD1 e5n5nE1 e5n5nF1 e5n5nB2 e5n5nA1 e5n5nC2 e5n5nD2 e5n5nE2 e5n5nF2 | ||
6I2I | Predicted | e6i2iB2 e6i2iB1 | ||
6QUS | Predicted | e6qusU1 e6qusS2 e6qusU2 e6qusS1 | ||
6QUY | Predicted | e6quyH2 e6quyG1 e6quyH1 e6quyG2 | ||
6QVJ | Predicted | e6qvjS1 e6qvjU1 e6qvjS2 e6qvjU2 |