Reaction Details
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HIV WT-C pol protein (wild-type clade C)
Ligand
BDBM104107
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
3.0±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 More Info.:
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:
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:
