Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M]
Ligand
BDBM104109
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
42.93±0.559 nM
Citation
 Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol 8:2433-41 (2013) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M]
Synonyms:
HIV-1 protease M1 | HIV-1 protease drug-resistant mutant 1 | POL_HV196 | gag-pol
Type:
Protein
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus
Description:
Q9QBY3[484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M]
Residue:
99
Sequence:
PQITLWQRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIVGIGGFVKVKQYEQVLIEICGKKAIGTVLVGPTPANIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM104109
Synonyms:
3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]- 1-(phenylmethyl)propyl]-benzamide (AF-78)
Type:
Small organic molecule
Emp. Form.:
C33H36N2O6S
Mol. Mass.:
588.714
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Structure:
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