Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM81678
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
910±0.0 nM
Citation
 Chellappan, S; Kiran Kumar Reddy, GS; Ali, A; Nalam, MN; Anjum, SG; Cao, H; Kairys, V; Fernandes, MX; Altman, MD; Tidor, B; Rana, TM; Schiffer, CA; Gilson, MK Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis. Chem Biol Drug Des 69:298-313 (2007) [PubMed]  Article 
Target
Name:
HIV-1 protease
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
10653.94
Organism:
Human immunodeficiency virus
Description:
O90783
Residue:
98
Sequence:
PQVTLWQRPLVTIRVGGQLKEALLDTGADDTVLEDMNLPGRWKPKMIGGIGGFIKVRQYDQITVEICGHKAIGTVLVGPTPVNIIGRNLLTIGCTLNF
  
Inhibitor
Name:
BDBM81678
Synonyms:
CARB-AC97
Type:
Small organic molecule
Emp. Form.:
C26H33N5O6S
Mol. Mass.:
543.635
SMILES:
COc1cc(ccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCCO1)S(=O)(=O)c1cn(C)cn1 |r|
Structure:
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