Ligand name: (1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
PDB ligand accession: M66
DrugBank: n/a
PubChem: 49867277
ChEMBL: n/a
InChI Key: CRMSMBCBPAEBQR-MUIHSLIFSA-N
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3Cc4ccccc4C3)NC(=O)NC(CN5CCCCC5=O)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein Q9ELS8

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3KN2 Download Experimental e3kn2.1
cradle loop barrel
LigPlot