Ligand name: N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide
PDB ligand accession: E13
DrugBank: n/a
PubChem: 46238528
ChEMBL: CHEMBL1232433
InChI Key: BNMOFZILPSBXGG-OTJWULCMSA-N
SMILES: CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)C(c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein Q82134

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
3LIN Download Experimental e3linA1
e3linB1
e3linC1
e3linD1
e3linE1
e3linF1
e3linG1
e3linH1
e3linI1
e3linJ1
e3linK1
e3linL1
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
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cradle loop barrel
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LigPlot