Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM151
Substrate
n/a
Meas. Tech.
Protease Inhibtion Assay
pH
5.5±0
Ki
0.30±0.0 nM
Citation
 Rodgers, JD; Lam, PY; Johnson, BL; Wang, H; Li, R; Ru, Y; Ko, SS; Seitz, SP; Trainor, GL; Anderson, PS; Klabe, RM; Bacheler, LT; Cordova, B; Garber, S; Reid, C; Wright, MR; Chang, CH; Erickson-Viitanen, S Design and selection of DMP 850 and DMP 851: the next generation of cyclic urea HIV protease inhibitors. Chem Biol 5:597-608 (1998) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 protease wild type
Type:
Protein
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus
Description:
O90785
Residue:
99
Sequence:
PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYEQVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM151
Synonyms:
(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one | CHEMBL223824 | DMP450
Type:
n/a
Emp. Form.:
C33H36N4O3
Mol. Mass.:
536.6639
SMILES:
Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1
Structure:
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