Reaction Details |
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Target | Gag-Pro polyprotein |
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Ligand | BDBM50227057 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_463999 (CHEMBL929986) |
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IC50 | 159±n/a nM |
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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 Lett18:366-70 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Gag-Pro polyprotein |
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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: | MGQIFSRSASPIPRPPRGLAAHHWLNFLQAAYRLEPGPSSYDFHQLKKFLKIALETPARI
CPINYSLLASLLPKGYPGRVNEILHILIQTQAQIPSRPAPPPPSSPTHDPPDSDPQIPPP
YVEPTAPQVLPVMHPHGAPPNHRPWQMKDLQAIKQEVSQAAPGSPQFMQTIRLAVQQFDP
TAKDLQDLLQYLCSSLVASLHHQQLDSLISEAETRGITGYNPLAGPLRVQANNPQQQGLR
REYQQLWLAAFAALPGSAKDPSWASILQGLEEPYHAFVERLNIALDNGLPEGTPKDPILR
SLAYSNANKECQKLLQARGHTNSPLGDMLRACQTWTPKDKTKVLVVQPKKPPPNQPCFRC
GKAGHWSRDCTQPRPPPGPCPLCQDPTHWKRDCPRLKPTIPEPEPEEDALLLDLPADIPH
PKNLHRGGGLTSPPTLQQVLPNQDPASILPVIPLDPARRPVIKAQVDTQTSHPKTIEALL
DTGADMTVLPIALFSSNTPLKNTSVLGAGGQTQDHFKLTSLPVLIRLPFRTTPIVLTSCL
VDTKNNWAIIGRDALQQCQGVLYLPEAKRPPVILPIQAPAVLGLEHLPRPPEISQFPLNQ
NASRPCNTWSGRPWRQAISNPTPGQGITQYSQLKRPMEPGDSSTTCGPLTL
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BDBM50227057 |
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n/a |
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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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