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TitlePhenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 1032-1036, Year 2006
Publish dateOct 21, 2005 (structure data deposition date)
AuthorsHanessian, S. / Therrien, E. / van Otterlo, W.A. / Bayrakdarian, M. / Nilsson, I. / Xue, Y.
External linksBioorg. Med. Chem. Lett. / PubMed:16290930
MethodsX-ray diffraction
Resolution1.61 Å
Structure data

PDB-2bdy:
thrombin in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-UNB:
N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / thrombin / complex structure / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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