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Target
Gag-Pro polyprotein
Ligand
BDBM50227057
Substrate
n/a
Meas. Tech.
ChEMBL_463999 (CHEMBL929986)
IC50
159±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:
BDBM50227057
Synonyms:
(S)-2-((S)-2-((S)-2-((S)-1-((2S,3S)-3-((S)-2-((S)-5-amino-5-oxo-2-((S)-pyrrolidine-2-carboxamido)pentanamido)-3-methylbutanamido)-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-4-(methylthio)butanamido)-3-(1H-imidazol-5-yl)propanoic acid | (S)-2-((S)-2-((S)-2-((S)-1-((2S,3S)-3-((S)-2-((S)-5-amino-5-oxo-2-((S)-pyrrolidine-2-carboxamido)pentanamido)-3-methylbutanamido)-2-hydroxy-4-phenylbutanoyl)pyrrolidine-5-carboxamido)-3-methylbutanamido)-4-(methylthio)butanamido)-3-(1H-imidazol-4-yl)propa | CHEMBL233025 | H-Pro-Gln-Val-Apns-Pro-Val-Met-His-OH | H-Pro-Gln-Val-Leu-Pro-Val-Met-His-Pro-OH | KNI-10161
Type:
Small organic molecule
Emp. Form.:
C46H69N11O11S
Mol. Mass.:
984.172
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
Structure:
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