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TargetProtease
LigandBDBM50481018
Substrate/Competitorn/a
Meas. Tech.ChEMBL_600545
IC50 0.301995±n/a nM
Citation da Cunha, EFSippl, Wde Castro Ramalho, TCeva Antunes, OAde Alencastro, RBAlbuquerque, MG 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes. Eur J Med Chem44:4344-52 (2009) [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:
BDBM50481018
NameBDBM50481018
Synonyms:CHEMBL568883
TypeSmall organic molecule
Emp. Form.C64H82N4O10S2
Mol. Mass.1131.487
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C |r|
Structure
n/a