Ligand name: 5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
PDB ligand accession: 757
DrugBank: n/a
PubChem: 49866564
ChEMBL: n/a
InChI Key: XYKCBRCSBVZGIL-WRXYKUNKSA-N
SMILES: CC(C)C(C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3DM6 Download Experimental e3dm6A2
e3dm6A3
e3dm6B2
e3dm6B3
e3dm6C2
e3dm6C3
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
LigPlot