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Structure paper

TitleNonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 5244-5248, Year 2013
Publish dateApr 1, 2013 (structure data deposition date)
AuthorsGlunz, P.W. / Zhang, X. / Zou, Y. / Delucca, I. / Nirschl, A.H. / Cheng, X. / Weigelt, C.A. / Cheney, D.L. / Wei, A. / Anumula, R. ...Glunz, P.W. / Zhang, X. / Zou, Y. / Delucca, I. / Nirschl, A.H. / Cheng, X. / Weigelt, C.A. / Cheney, D.L. / Wei, A. / Anumula, R. / Luettgen, J.M. / Rendina, A.R. / Harpel, M. / Luo, G. / Knabb, R. / Wong, P.C. / Wexler, R.R. / Priestley, E.S.
External linksBioorg. Med. Chem. Lett. / PubMed:23845220
MethodsX-ray diffraction
Resolution1.8 - 2.19 Å
Structure data

PDB-4jyu:
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4jyv:
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

Chemicals

ChemComp-1OK:
(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1OJ:
(2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide

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

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