Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M]
Ligand
BDBM104106
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
2.021±0.033 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,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M]
Synonyms:
HIV-1 protease M3 | HIV-1 protease drug-resistant mutant 3 | POL_HV196 | gag-pol
Type:
Protein
Mol. Mass.:
10819.77
Organism:
Human immunodeficiency virus
Description:
Q9QBY3[484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M]
Residue:
99
Sequence:
PQITLWQRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYEQVLIEICGKKVISTVLVGPTPVNVIGRNMMTQIGCTLNF
  
Inhibitor
Name:
BDBM104106
Synonyms:
MIT-2-KB-83 (KB-83)
Type:
Small organic molecule
Emp. Form.:
C28H34N2O6S
Mol. Mass.:
526.644
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Structure:
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