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TitleDiscovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 2995-3008, Year 2004
Publish dateMar 5, 2004 (structure data deposition date)
AuthorsYoung, M.B. / Barrow, J.C. / Glass, K.L. / Lundell, G.F. / Newton, C.L. / Pellicore, J.M. / Rittle, K.E. / Selnick, H.G. / Stauffer, K.J. / Vacca, J.P. ...Young, M.B. / Barrow, J.C. / Glass, K.L. / Lundell, G.F. / Newton, C.L. / Pellicore, J.M. / Rittle, K.E. / Selnick, H.G. / Stauffer, K.J. / Vacca, J.P. / Williams, P.D. / Bohn, D. / Clayton, F.C. / Cook, J.J. / Krueger, J.A. / Kuo, L.C. / Lewis, S.D. / Lucas, B.J. / McMasters, D.R. / Miller-Stein, C. / Pietrak, B.L.
External linksJ. Med. Chem. / PubMed:15163182
MethodsX-ray diffraction
Resolution1.81 Å
Structure data

PDB-1sl3:
crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-170:
(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsBLOOD CLOTTING / HYDROLASE/INHIBITOR / thrombin inhibitor complex / HYDROLASE-INHIBITOR COMPLEX

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