Ligand name: [3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate
PDB ligand accession: 7CW
DrugBank: n/a
PubChem: 129318949
ChEMBL: CHEMBL4105619
InChI Key: RGSSNYYHNQIMAB-ZSCMZCBDSA-N
SMILES: CC(CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Bile acids, alcohols and derivatives

List of PDB structures and/or AlphaFold models with target protein Q64610

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5M0S	Download	Experimental	e5m0sA2 e5m0sA3	Somatomedin B domain Alkaline phosphatase-like	LigPlot