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Target
Gag-Pro polyprotein
Ligand
BDBM50242888
Substrate
n/a
Meas. Tech.
ChEMBL_463999 (CHEMBL929986)
IC50
107±n/a nM
Citation
 Nguyen, JT; Zhang, M; Kumada, HO; Itami, A; Nishiyama, K; Kimura, T; Cheng, M; Hayashi, Y; Kiso, Y Truncation and non-natural amino acid substitution studies on HTLV-I protease hexapeptidic inhibitors. Bioorg Med Chem Lett 18:366-70 (2008) [PubMed]  Article 
Target
Name:
Gag-Pro polyprotein
Synonyms:
Human T-cell leukemia virus type I protease | PRO_HTL1A | gag-pro | prt
Type:
PROTEIN
Mol. Mass.:
71577.03
Organism:
Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A) (HTLV-1)
Description:
ChEMBL_303297
Residue:
651
Sequence:
MGQIFSRSASPIPRPPRGLAAHHWLNFLQAAYRLEPGPSSYDFHQLKKFLKIALETPARICPINYSLLASLLPKGYPGRVNEILHILIQTQAQIPSRPAPPPPSSPTHDPPDSDPQIPPPYVEPTAPQVLPVMHPHGAPPNHRPWQMKDLQAIKQEVSQAAPGSPQFMQTIRLAVQQFDPTAKDLQDLLQYLCSSLVASLHHQQLDSLISEAETRGITGYNPLAGPLRVQANNPQQQGLRREYQQLWLAAFAALPGSAKDPSWASILQGLEEPYHAFVERLNIALDNGLPEGTPKDPILRSLAYSNANKECQKLLQARGHTNSPLGDMLRACQTWTPKDKTKVLVVQPKKPPPNQPCFRCGKAGHWSRDCTQPRPPPGPCPLCQDPTHWKRDCPRLKPTIPEPEPEEDALLLDLPADIPHPKNLHRGGGLTSPPTLQQVLPNQDPASILPVIPLDPARRPVIKAQVDTQTSHPKTIEALLDTGADMTVLPIALFSSNTPLKNTSVLGAGGQTQDHFKLTSLPVLIRLPFRTTPIVLTSCLVDTKNNWAIIGRDALQQCQGVLYLPEAKRPPVILPIQAPAVLGLEHLPRPPEISQFPLNQNASRPCNTWSGRPWRQAISNPTPGQGITQYSQLKRPMEPGDSSTTCGPLTL
  
Inhibitor
Name:
BDBM50242888
Synonyms:
(R)-3-((2S,3S)-3-((S)-2-((S)-2-acetamido-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-acetylamino-2-phenyl]acetylamino-3,3-dimethyl}butanoylamino-2-hydroxy-4-phenyl}}butanoyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | CHEMBL446908 | KNI-10516
Type:
Small organic molecule
Emp. Form.:
C36H51N5O6S
Mol. Mass.:
681.885
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(C)=O)c1ccccc1)C(C)(C)C |r|
Structure:
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