Reaction Details Report a problem with these data
Target
Gag-Pro polyprotein
Ligand
BDBM50155805
Substrate
n/a
Meas. Tech.
ChEMBL_303298 (CHEMBL827431)
Ki
2000±n/a nM
Citation
 Maegawa, H; Kimura, T; Arii, Y; Matsui, Y; Kasai, S; Hayashi, Y; Kiso, Y Identification of peptidomimetic HTLV-I protease inhibitors containing hydroxymethylcarbonyl (HMC) isostere as the transition-state mimic. Bioorg Med Chem Lett 14:5925-9 (2004) [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:
BDBM50155805
Synonyms:
CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-OH
Type:
Small organic molecule
Emp. Form.:
C47H71N11O11S2
Mol. Mass.:
1030.264
SMILES:
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(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
Structure:
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