Reaction Details Report a problem with these data
Target
HIV WT-A pol protein (wild-type clade A)
Ligand
BDBM104107
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
2.4±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:
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.:
n/a
Mol. Mass.:
n/a
SMILES:
CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)C
Structure:
Search PDB for entries with ligand similarity: