PDB ligand accession: 3M2
DrugBank: n/a
PubChem: 5342246;137631130;
ChEMBL:
InChI Key: XBSUMZSVMPLGBU-YWEYNIOJSA-N
SMILES: CN1C(=Cc2cc(c(c(c2)Br)O)Br)C(=O)N=C1N
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 |
---|---|---|---|---|---|
3P3S | Download | Experimental | e3p3sA1 e3p3sB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |