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Target
Gag-Pro polyprotein
Ligand
BDBM50371721
Substrate
n/a
Meas. Tech.
ChEMBL_463999 (CHEMBL929986)
IC50
123±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:
BDBM50371721
Synonyms:
CHEMBL403770 | KNI-10197
Type:
Small organic molecule
Emp. Form.:
C43H63N7O8S2
Mol. Mass.:
870.132
SMILES:
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(N)=O)c1ccccc1
Structure:
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