1x7a
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(New page: 200px<br /><applet load="1x7a" size="450" color="white" frame="true" align="right" spinBox="true" caption="1x7a, resolution 2.90Å" /> '''Porcine Factor IXa C...)
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Revision as of 03:45, 21 November 2007
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Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Overview
Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa, inhibitor SN-429 provided several new compounds, which are 5-10nM, inhibitors of factor IXa. An X-ray crystal structure of one example, complexed to factor IXa shows that these compounds adopt a similar binding, mode to that previously observed with pyrazole inhibitors in the factor Xa, active site both with regard to how the inhibitor binds and the position, of Tyr99.
About this Structure
1X7A is a Protein complex structure of sequences from Sus scrofa with 187 as ligand. Active as Coagulation factor IXa, with EC number 3.4.21.22 Full crystallographic information is available from OCA.
Reference
SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:15454208
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