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Structure paper

TitleOrally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 2641-2647, Year 2006
Publish dateDec 16, 2005 (structure data deposition date)
AuthorsMack, H. / Baucke, D. / Hornberger, W. / Lange, U.E.W. / Seitz, W. / Hoeffken, H.W.
External linksBioorg. Med. Chem. Lett. / PubMed:16517159
MethodsX-ray diffraction
Resolution2.42 - 2.44 Å
Structure data

PDB-2feq:
orally active thrombin inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-2fes:
Orally active thrombin inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-34P:
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE

ChemComp-HOH:
WATER

ChemComp-3SP:
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
  • synthetic (others)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / thrombin inhibitor / hydrolase-hydrolase inhibitor COMPLEX

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