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Target
Protease
Ligand
BDBM50242882
Substrate
n/a
Meas. Tech.
ChEMBL_491409 (CHEMBL945372)
IC50
332±n/a nM
Citation
 Zhang, M; Nguyen, JT; Kumada, HO; Kimura, T; Cheng, M; Hayashi, Y; Kiso, Y Locking the two ends of tetrapeptidic HTLV-I protease inhibitors inside the enzyme. Bioorg Med Chem 16:6880-90 (2008) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
Protease | prt
Type:
PROTEIN
Mol. Mass.:
13462.60
Organism:
Human T-cell leukemia virus type I
Description:
ChEMBL_118454
Residue:
125
Sequence:
PVIPLDPARRPVIKAQVDTQTSHPKTIEALLDTGADMTVLPIALFSSNTPLKNTSVLGAGGQTQDHFKLTSLPVLIRLPFRTTPIVLTSCLVDTKNNWAIIGRDALQQCQGVLYLPEAKGPPVIL
  
Inhibitor
Name:
BDBM50242882
Synonyms:
(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide | (R)-3-((2S,3S)-3-((S)-2-((S)-2-amino-2-phenylacetamido)-3,3-dimethylbutanamido)-2-hydroxy-4-phenylbutanoyl)-N-isobutyl-5,5-dimethylthiazolidine-4-carboxamide | CHEMBL499979 | KNI-10673
Type:
Small organic molecule
Emp. Form.:
C34H49N5O5S
Mol. Mass.:
639.848
SMILES:
CC(C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)c1ccccc1)C(C)(C)C |r|
Structure:
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