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Target
Protease
Ligand
BDBM50242955
Substrate
n/a
Meas. Tech.
ChEMBL_491409 (CHEMBL945372)
IC50
97±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:
BDBM50242955
Synonyms:
(R)-3-((2S,3S)-3-((S)-2-((S)-2-(cyclopropanecarboxamido)-2-phenylacetamido)-3,3-dimethylbutanamido)-2-hydroxy-4-phenylbutanoyl)-N-isobutyl-5,5-dimethylthiazolidine-4-carboxamide | (R)-N-Isobutyl-3-{{(2S,3S)-3-{(2S)-2-[(2S)-2-cyclopropanecarbonylamino-2-phenyl]acetylamino-3,3-dimethyl}-butanoylamino-2-hydroxy-4-phenyl}}butanoyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | CHEMBL501813 | KNI-10572 | KNI-10575
Type:
Small organic molecule
Emp. Form.:
C38H53N5O6S
Mol. Mass.:
707.922
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](NC(=O)C1CC1)c1ccccc1)C(C)(C)C |r|
Structure:
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