Brief Information of the Compound and Protein
Compound Name
(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-2-[(3R)-oxolan-3-yl]acetyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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PubChem ID
CID: 129909612
Canonical SMILES
COc1cccc2cc(oc12)C(=O)N[C@@H]([C@H]1CCOC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C
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Compound Formula C41H48N4O8S
Compound Structure
Protein Name
Protease
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease PAC clan
>
Cysteine protease C3A subfamily
Uniprot ID
Q9YQ12
Gene Name
PROTEASE
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 0.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 1.21 nM
   TI
   LI
   LO
   TS
CL000247 MT-4 Homo sapiens (Human)  1
1
EC50 = 25 nM
   TI
   LI
   LO
   TS