Ligand name: N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
PDB ligand accession: MV7
DrugBank: n/a
PubChem: 25157024
ChEMBL: CHEMBL591644
InChI Key: RSTFVOGBJGGSOD-NDKACYJFSA-N
SMILES: CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O)OCCOC
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
3I25 Download Experimental e3i25A2
e3i25A3
e3i25A2
e3i25B2
e3i25B3
e3i25C2
e3i25C3
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
LigPlot