Ligand name: methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
PDB ligand accession: GGX
DrugBank: n/a
PubChem: 25920888
ChEMBL: n/a
InChI Key: BTNNHZWTVQDFCK-YPINIOOUSA-N
SMILES: Cc1cccc(n1)CN2C=CN(C2=O)C(C(=O)NC(Cc3ccccc3)C(CC(Cc4ccc(cc4)c5ccccn5)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein Q9Q2G8

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3GGX Download Experimental e3ggxA1
e3ggxB1
e3ggxC1
e3ggxB1
e3ggxC1
e3ggxD1
e3ggxE1
e3ggxF1
e3ggxG1
e3ggxH1
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
LigPlot