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Target
Protease
Ligand
BDBM50242965
Substrate
n/a
Meas. Tech.
ChEMBL_533037 (CHEMBL993243)
IC50
82.8±n/a nM
Citation
 Zhang, M; Nguyen, JT; Kumada, HO; Kimura, T; Cheng, M; Hayashi, Y; Kiso, Y Synthesis and activity of tetrapeptidic HTLV-I protease inhibitors possessing different P3-cap moieties. Bioorg Med Chem 16:5795-802 (2008) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
18047.65
Organism:
Human T-lymphotropic virus 1
Description:
ChEMBL_533037
Residue:
166
Sequence:
MTVLPIALFSSNTPLRNTSVLGAGGQTQDHFKLTSLPVLIRLPFRTTPIVLTSCLVDTKNNWAIIGRDALQQCQGALYLPEAKGPPVILPIQAPAVLGLEHLPRPPEISQFPLNQNGSRPCNTWSGRPWRQAISNPTPGQEITQYSQLKRPMEPGDSSTTCGPLTL
  
Inhibitor
Name:
BDBM50242965
Synonyms:
(R)-3-((2S,3S)-3-((S)-3,3-dimethyl-2-((S)-2-phenyl-2-pivalamidoacetamido)butanamido)-2-hydroxy-4-phenylbutanoyl)-N-isobutyl-5,5-dimethylthiazolidine-4-carboxamide | (R)-N-Isobutyl-3-{{(2S,3S)-3-{(2S)-2-[(2S)-2-pivaloylamino-2-phenyl]acetylamino-3,3-dimethyl}butanoylamino-2-hydroxy-4-phenyl}}butanoyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | CHEMBL510927 | KNI-10572
Type:
Small organic molecule
Emp. Form.:
C39H57N5O6S
Mol. Mass.:
723.965
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)C(C)(C)C)c1ccccc1)C(C)(C)C |r|
Structure:
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