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Structure paper

TitleSulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 2931-, Year 2007
Publish dateFeb 19, 2007 (structure data deposition date)
AuthorsSenger, S. / Chan, C. / Convery, M.A. / Hubbard, J.A. / Shah, G.P. / Watson, N.S. / Young, R.J.
External linksBioorg. Med. Chem. Lett. / PubMed:17336062
MethodsX-ray diffraction
Resolution1.7 - 2.5 Å
Structure data

PDB-2jh0:
Human Thrombin Hirugen Inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2jh5:
Human Thrombin Hirugen Inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2jh6:
Human Thrombin Hirugen Inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

Chemicals

ChemComp-701:
(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-895:
2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE

ChemComp-894:
2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / GLYCOPROTEIN / SERINE PROTEASE / KRINGLE / ZYMOGEN / THROMBIN / PROTEASE / DISEASE MUTATION / BLOOD COAGULATION / GAMMA-CARBOXYGLUTAMIC ACID / PROTEASE INHIBITOR / SERINE PROTEASE INHIBITOR / SULFATION / ACUTE PHASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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