Target
Gag-Pol polyprotein [489-892]
Ligand
BDBM104102
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
2.7±0.0 nM
Citation
 Shen, YAltman, MDAli, ANalam, MNCao, HRana, TMSchiffer, CATidor, 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 [489-892]
Synonyms:
HIV-1 isolate WT-control pol protein (CNDO control strain) | POL_HV1N5 | WT-control | gag-pol
Type:
Protein
Mol. Mass.:
46038.17
Organism:
Human immunodeficiency virus
Description:
P12497[489-892]
Residue:
404
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKQKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQCSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYAGIKVRQLCKLLRGTKALTEVVPLTEEAELELAE
  
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:
Search PDB for entries with ligand similarity: