Reaction Details
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Gag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M]
Ligand
BDBM112656
Substrate
n/a
Meas. Tech.
HIV-1 protease inhibition assay
pH
4.7±n/a
Temperature
298.15±n/a K
Ki
0.0005±0.009 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 More Info.:
Target
Name:
Gag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M]
Synonyms:
HIV-1 protease (Wt) | POL_HV196 | gag-pol
Type:
Protein
Mol. Mass.:
10758.73
Organism:
Human immunodeficiency virus
Description:
wild-type HIV-1 protease (Q7K)
Residue:
99
Sequence:
PQITLWKRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYEQVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
Inhibitor
Name:
BDBM112656
Synonyms:
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(4-(hydroxymethyl)-N-((S)-2-methylbutyl)phenylsulfonamido)-1-phenylbutan-2-yl)carbamate (10c)
Type:
Small organic molecule
Emp. Form.:
C29H40N2O8S
Mol. Mass.:
576.701
SMILES:
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(CO)cc1
Structure:
