Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM580
Substrate
n/a
Meas. Tech.
ChEMBL_593880 (CHEMBL1037773)
Ki
0.031000±n/a nM
Citation
 Hidaka, K; Kimura, T; Abdel-Rahman, HM; Nguyen, JT; McDaniel, KF; Kohlbrenner, WE; Molla, A; Adachi, M; Tamada, T; Kuroki, R; Katsuki, N; Tanaka, Y; Matsumoto, H; Wang, J; Hayashi, Y; Kempf, DJ; Kiso, Y Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. J Med Chem 52:7604-17 (2009) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM580
Synonyms:
(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide | AG1776 | BDBM50288366 | JE-2147 | KNI-764
Type:
Small organic molecule
Emp. Form.:
C32H37N3O5S
Mol. Mass.:
575.718
SMILES:
Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r|
Structure:
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