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TargetProtease
LigandBDBM171372
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1523253
Ki 0.210000±n/a nM
Citation Ghosh, AKTakayama, JKassekert, LAElla-Menye, JRYashchuk, SAgniswamy, JWang, YFAoki, MAmano, MWeber, ITMitsuya, H Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. Bioorg Med Chem Lett25:4903-4909 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Protease
Name:Protease
Synonyms:n/a
Type:Enzyme
Mol. Mass.:10904.79
Organism:Human immunodeficiency virus 1 (HIV-1)
Description:Q9YQ12
Residue:99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM171372
NameBDBM171372
Synonyms:US9085571, Table 1, Compound 20
TypeSmall organic molecule
Emp. Form.C37H46N4O7S
Mol. Mass.690.849
SMILESCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)Cc1nc(C)oc1C |r|
Structure
n/a