PDB ligand accession: CB3
DrugBank: DB03541
PubChem: 443388;5281971;135438608;
ChEMBL:
InChI Key: LTKHPMDRMUCUEB-IBGZPJMESA-N
SMILES: C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2BFA | Download | Experimental | e2bfaD1 e2bfaA1 e2bfaB1 e2bfaC1 e2bfaB1 e2bfaD1 e2bfaC1 e2bfaD1 e2bfaA1 e2bfaC1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |