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Target
HIV-1 protease
Ligand
BDBM50124714
Substrate
n/a
Meas. Tech.
Protease Inhibtion Assay
pH
5.5±0
Ki
0.021±0.013 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:
BDBM50124714
Synonyms:
(4R,5S,6S,7R)-1-(3-Amino-1H-indazol-5-ylmethyl)-4,7-dibenzyl-3-butyl-5,6-dihydroxy-[1,3]diazepan-2-one | CHEMBL413332 | DMP-851 | DMP851
Type:
Small organic molecule
Emp. Form.:
C31H37N5O3
Mol. Mass.:
527.6572
SMILES:
CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O
Structure:
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