Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M]
Ligand
BDBM112662
Substrate
n/a
Meas. Tech.
HIV-1 protease inhibition assay
pH
4.7±n/a
Temperature
298.15±n/a K
Ki
0.006±0.028 nM
Comments
extracted
Citation
 Nalam, MN; Ali, A; Reddy, GS; Cao, H; Anjum, SG; Altman, MD; Yilmaz, NK; Tidor, B; Rana, TM; Schiffer, CA Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem Biol 20:1116-24 (2013) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M]
Synonyms:
HIV-1 protease M3 | POL_HV196 | gag-pol
Type:
Protein
Mol. Mass.:
10772.76
Organism:
Human immunodeficiency virus
Description:
HIV-1 protease mutant (I50V, A71V)
Residue:
99
Sequence:
PQITLWKRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGVGGFIKVKQYEQVLIEICGKKVIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM112662
Synonyms:
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(N-(2-ethylbutyl)benzo[d][1,3]dioxole-5-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate (11d)
Type:
Small organic molecule
Emp. Form.:
C30H40N2O9S
Mol. Mass.:
604.712
SMILES:
CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2OCOc2c1
Structure:
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