2ei6 | pdb_00002ei6
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| 2ei6, resolution 2.30Å | |||||||||||||
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| Sites: | AC1, AC2 and AC3 | ||||||||||||
| Ligands: | CA and D92 | ||||||||||||
| Activity: | Coagulation factor Xa, with EC number 3.4.21.6 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine
Overview
This paper describes the synthesis of orally available potent fXa inhibitors 2 and 3 by modification of the piperazine part of lead compound 1. Carbonyl derivative 3 showed potent fXa activity but not sulfonyl derivative 2. Among the compounds synthesized, cyclohexane derivatives 3g and 3h and cycloheptane derivative 3j had potent anticoagulant activity as well as anti-fXa activity. Synthetic study of the optical isomers of 3g demonstrated that (-)-3g had more potent activity.
About this Structure
2EI6 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors., Nagata T, Yoshino T, Haginoya N, Yoshikawa K, Isobe Y, Furugohri T, Kanno H, Bioorg Med Chem Lett. 2007 Aug 15;17(16):4683-8. Epub 2007 May 25. PMID:17555959
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