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Target
HIV WT-A pol protein (wild-type clade A)
Ligand
BDBM104103
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
48.6±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-A pol protein (wild-type clade A)
Synonyms:
POL_HV1N5 | gag-pol | WT-A | Gag-Pol polyprotein [489-892,I502V,E524D,M525I,R530K,H558K,L578M,K599T,V609I,V623T,T627K,Q690K,C750S,T753I,K761S,D765E,V767I,T788A,I790V,Q795A,V833Q,E836D,A860P,R865K,K869R,T874A,E879D]
Type:
Protein
Mol. Mass.:
45854.50
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-892,I502V,E524D,M525I,R530K,H558K,L578M,K599T,V609I,V623T,T627K,Q690K,C750S,T753I,K761S,D765E,V767I,T788A,I790V,Q795A,V833Q,E836D,A860P,R865K,K869R,T874A,E879D]
Residue:
404
Sequence:
PQITLWQRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNFPISPIETVPVTLKPGMDGPKIKQWPLTEEKIKALTEICKEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMIKILEPFRSQNPEIIIYQYMDDLYVGSDLEIGQHRAKVEELRAHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIQLPDKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCRLLRGAKALTDIVPLTEEAELELAE
  
Inhibitor
Name:
BDBM104103
Synonyms:
N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2)S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O
Structure:
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