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Structure paper

TitleRapid development of two factor IXa inhibitors from hit to lead.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 2321-2325, Year 2015
Publish dateMar 25, 2015 (structure data deposition date)
AuthorsParker, D.L. / Walsh, S. / Li, B. / Kim, E. / Sharipour, A. / Smith, C. / Chen, Y.H. / Berger, R. / Harper, B. / Zhang, T. ...Parker, D.L. / Walsh, S. / Li, B. / Kim, E. / Sharipour, A. / Smith, C. / Chen, Y.H. / Berger, R. / Harper, B. / Zhang, T. / Park, M. / Shu, M. / Wu, J. / Xu, J. / Dewnani, S. / Sherer, E.C. / Hruza, A. / Reichert, P. / Geissler, W. / Sonatore, L. / Ellsworth, K. / Balkovec, J. / Greenlee, W. / Wood, H.B.
External linksBioorg. Med. Chem. Lett. / PubMed:25937013
MethodsX-ray diffraction
Resolution1.41 Å
Structure data

PDB-4yzu:
Rapid development of two Factor IXa inhibitors from Hit to Lead
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-4z0k:
Rapid development of two Factor IXa inhibitors from Hit to Lead
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

Chemicals

ChemComp-4K6:
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide

ChemComp-NA:
Unknown entry

ChemComp-NHE:
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / pH buffer*YM

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-4LN:
N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEINASE / BLOOD COAGULATION / COAGULATION FACTOR / HYDROLASE-HYDROLASE INHIBITOR complex

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