Ligand name: ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
PDB ligand accession: 5RS
DrugBank: n/a
PubChem: 105539868
ChEMBL: n/a
InChI Key: QHOOZSSNIATKFV-ZCNUFEDYSA-N
SMILES: CCc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4CC)C(=O)NS(=O)(=O)C5CC5
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein C1KIK8

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
5EQQ Download Experimental e5eqqA1
cradle loop barrel
LigPlot
5ETX Download Experimental e5etxA1
e5etxC1
e5etxB1
e5etxD1
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
LigPlot