PDB ligand accession: XX5
DrugBank: DB12271
PubChem: n/a
ChEMBL:
InChI Key: NTCCRGGIJNDEAB-IRXDYDNUSA-N
SMILES: CC(C)CC(C(=O)O)NC(Cc1cncn1Cc2cc(cc(c2)Cl)Cl)C(=O)O
Drug action: inhibitor
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 |
---|---|---|---|---|---|
1R4L | Download | Experimental | e1r4lA1 | Zincin-like | LigPlot |