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Structure paper

TitleDesign, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Journal, issue, pagesBioorg. Med. Chem., Vol. 13, Page 3927-3954, Year 2005
Publish dateNov 29, 2004 (structure data deposition date)
AuthorsKomoriya, S. / Haginoya, N. / Kobayashi, S. / Nagata, T. / Mochizuki, A. / Suzuki, M. / Yoshino, T. / Horino, H. / Nagahara, T. / Isobe, Y. / Furugoori, T.
External linksBioorg. Med. Chem. / PubMed:15911309
MethodsX-ray diffraction
Resolution2.2 - 2.3 Å
Structure data

PDB-1wu1:
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2d1j:
Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-D91:
5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE

ChemComp-HOH:
WATER

ChemComp-D01:
2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / glycoprotein / serine protease / plasma / blood coagulation factor / protein inhibitor complex / calcium-binding

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