1x7a
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| , resolution 2.90Å | |||||||
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| Ligands: | |||||||
| Activity: | Coagulation factor IXa, with EC number 3.4.21.22 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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
OverviewOverview
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 StructureAbout this Structure
1X7A is a Protein complex structure of sequences from Sus scrofa. Full crystallographic information is available from OCA.
ReferenceReference
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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