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
BDBM104102
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.376±0.168 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:
BDBM104102
Synonyms:
(2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2- methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AG-23)
Type:
Small organic molecule
Emp. Form.:
C30H42N4O5S2
Mol. Mass.:
602.808
SMILES:
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r|
Structure:
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