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TitleDiscovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 4215-4218, Year 2010
Publish dateMar 18, 2010 (structure data deposition date)
AuthorsKertesz, D.J. / Brotherton-Pleiss, C. / Yang, M. / Wang, Z. / Lin, X. / Qiu, Z. / Hirschfeld, D.R. / Gleason, S. / Mirzadegan, T. / Dunten, P.W. ...Kertesz, D.J. / Brotherton-Pleiss, C. / Yang, M. / Wang, Z. / Lin, X. / Qiu, Z. / Hirschfeld, D.R. / Gleason, S. / Mirzadegan, T. / Dunten, P.W. / Harris, S.F. / Villasenor, A.G. / Hang, J.Q. / Heilek, G.M. / Klumpp, K.
External linksBioorg. Med. Chem. Lett. / PubMed:20538456
MethodsX-ray diffraction
Resolution2.67 - 2.95 Å
Structure data

PDB-3m8p:
HIV-1 RT with NNRTI TMC-125
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-3m8q:
HIV-1 RT with AMINOPYRIMIDINE NNRTI
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-3nbp:
HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-65B:
4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE / medication, antiretroviral, inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-DJZ:
3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile

ChemComp-MN:
Unknown entry

ChemComp-JGZ:
4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide

Source
  • human immunodeficiency virus type 1
  • human immunodeficiency virus type 1 group m subtype b
KeywordsTRANSFERASE / HIV / RT / REVERSE TRANSCRIPTASE RIBONUCLEASE H / TRANSFERASE RNA-DIRECTED DNA POLYMERASE / NUCLEOTIDYLTRANSFERASE / Hydrolase / REVERSE TRANSCRIPTASE

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