PDB ligand accession: CBQ
DrugBank: DB03649
PubChem: 405389;5254992;6313595;
ChEMBL:
InChI Key: BNMYZGAZFGNKTH-UHFFFAOYSA-N
SMILES: c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Organic phosphonic acids and derivatives
- Subclass: Bisphosphonates
- Class: Organic phosphonic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1T1S | Download | Experimental | e1t1sA1 e1t1sA2 e1t1sB1 e1t1sB2 | FwdE/GAPDH domain-like Rossmann-like FwdE/GAPDH domain-like Rossmann-like | LigPlot |