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TitleSAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 4419-4427, Year 2007
Publish dateMar 23, 2007 (structure data deposition date)
AuthorsQiao, J.X. / Chang, C.-H. / Cheney, D.L. / Morin, P.E. / Wang, G.Z. / King, S.R. / Wang, T.C. / Rendina, A.R. / Luettgen, J.M. / Knabb, R.M. ...Qiao, J.X. / Chang, C.-H. / Cheney, D.L. / Morin, P.E. / Wang, G.Z. / King, S.R. / Wang, T.C. / Rendina, A.R. / Luettgen, J.M. / Knabb, R.M. / Wexler, R.R. / Lam, P.Y.S.
External linksBioorg. Med. Chem. Lett. / PubMed:17588746
MethodsX-ray diffraction
Resolution1.8 - 2.2 Å
Structure data

PDB-2p93:
Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2p94:
Factor xa in complex with the inhibitor 3-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2p95:
Factor xa in complex with the inhibitor 5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ME1:
5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-ME4:
3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE

ChemComp-ME5:
5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GLYCOPROTEIN / SERINE PROTEASE / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM-BINDING

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