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Structure paper

TitleDesign, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.
Journal, issue, pagesBioorg. Med. Chem., Vol. 17, Page 8221-8233, Year 2009
Publish dateAug 3, 2009 (structure data deposition date)
AuthorsYoshikawa, K. / Kobayashi, S. / Nakamoto, Y. / Haginoya, N. / Komoriya, S. / Yoshino, T. / Nagata, T. / Mochizuki, A. / Watanabe, K. / Suzuki, M. ...Yoshikawa, K. / Kobayashi, S. / Nakamoto, Y. / Haginoya, N. / Komoriya, S. / Yoshino, T. / Nagata, T. / Mochizuki, A. / Watanabe, K. / Suzuki, M. / Kanno, H. / Ohta, T.
External linksBioorg. Med. Chem. / PubMed:19900814
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-3iit:
Factor XA in complex with a cis-1,2-diaminocyclohexane derivative
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-D14:
7-chloro-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-{[(5-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)carbonyl]amino}cyclohexyl]isoquinoline-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GLYCOPROTEIN / SERINE PROTEASE / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM-BINDING / Blood coagulation / Cleavage on pair of basic residues / Disulfide bond / EGF-like domain / Gamma-carboxyglutamic acid / Hydroxylation / Protease / Secreted / Zymogen

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