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TitleHuman kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 2450-2455, Year 2012
Publish dateJan 11, 2012 (structure data deposition date)
AuthorsLiang, G. / Chen, X. / Aldous, S. / Pu, S.F. / Mehdi, S. / Powers, E. / Xia, T. / Wang, R.
External linksBioorg. Med. Chem. Lett. / PubMed:22386244
MethodsX-ray diffraction
Resolution1.68 Å
Structure data

PDB-4d8n:
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

Chemicals

ChemComp-0HM:
2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / human kallikrein 6 / hk6 / serine protease / protein-ligand complex / Amidinothiophene / HYDROLASE-HYDROLASE INHIBITOR complex

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