Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-892]
Ligand
BDBM104107
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
3.5±0.0 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 [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:
BDBM104107
Synonyms:
(2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68)
Type:
Small organic molecule
Emp. Form.:
C29H43N3O6S
Mol. Mass.:
561.733
SMILES:
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: