Ligand name: N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide
PDB ligand accession: 82M
DrugBank: n/a
PubChem: 124222446
ChEMBL: CHEMBL3964137
InChI Key: TYOUIZRAPWQCSE-HNNXBMFYSA-N
SMILES: Cc1c(sc(n1)C(CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein A0A0M3KKW9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5U6E	Download	Experimental	e5u6eA1 e5u6eA2 e5u6eB1 e5u6eB2	gp120 inner domain Ribosomal protein L31e-like gp120 inner domain Ribosomal protein L31e-like	LigPlot