Reaction Details Report a problem with these data
Target
HIV WT-C pol protein (wild-type clade C)
Ligand
BDBM104108
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
65.7±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:
HIV WT-C pol protein (wild-type clade C)
Synonyms:
Gag-Pol polyprotein [489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I] | POL_HV1N5 | WT-C | gag-pol
Type:
Protein
Mol. Mass.:
45932.56
Organism:
Human immunodeficiency virus
Description:
P12497[489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I]
Residue:
404
Sequence:
PQITLWQRPLVTIKVGGQLKEALLDTGADDTVLEEINLPGKWKPKMIGGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQLGCTLNFPISPIETVPVKLKPGMDGPKIKQWPLTEEKIKALTAICEDMEREGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKSFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPEIVIYQYMDDLYVGSDLEIGQHRAKIEELREHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQSIELPEKESWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTDIVPLTEEAELELAE
  
Inhibitor
Name:
BDBM104108
Synonyms:
N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77)
Type:
Small organic molecule
Emp. Form.:
C31H38N2O6S
Mol. Mass.:
566.708
SMILES:
COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)CC1CCCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: