Ligand name: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide
PDB ligand accession: 7QB
DrugBank: n/a
PubChem: 156600270
ChEMBL: CHEMBL5285810
InChI Key: ZGSWGXNEXAXEGV-XFCHVEHOSA-N
SMILES: Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CN4CCN(CC4)c5ccc(c(c5)OC)Nc6cc(c(cn6)C(F)(F)F)Nc7ccccc7C(=O)NC)O
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P40337

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7PI4 Download Experimental e7pi4AAA1
e7pi4DDD1
Immunoglobulin-like beta-sandwich
Protein kinase/SAICAR synthase/ATP-grasp
LigPlot