Ligand name: [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER
PDB ligand accession: CPD
DrugBank: n/a
PubChem: 9600411
ChEMBL: n/a
InChI Key: SITLNJAUKLVJOA-CTQJRONWSA-N
SMILES: CCNC(=O)N(CCCN(C)C)P(=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)OC(c2ccc(cc2)[N+](=O)[O-])C(CO)NC(=O)C(Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Nitrobenzenes

List of PDB structures and/or AlphaFold models with target protein P18527

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2DQT	Download	Experimental	e2dqtH2 e2dqtL1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
2DQU	Download	Experimental	e2dquL1 e2dquH2	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot