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TitleVirtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 3, Page 159-164, Year 2012
Publish dateJan 9, 2012 (structure data deposition date)
AuthorsLiang, G. / Chen, X. / Aldous, S. / Pu, S.F. / Mehdi, S. / Powers, E. / Giovanni, A. / Kongsamut, S. / Xia, T. / Zhang, Y. ...Liang, G. / Chen, X. / Aldous, S. / Pu, S.F. / Mehdi, S. / Powers, E. / Giovanni, A. / Kongsamut, S. / Xia, T. / Zhang, Y. / Wang, R. / Gao, Z. / Merriman, G. / McLean, L.R. / Morize, I.
External linksAcs Med. Chem. Lett. / PubMed:24900446
MethodsX-ray diffraction
Resolution1.88 Å
Structure data

PDB-3vfe:
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

ChemComp-0HL:
4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide

ChemComp-HOH:
WATER

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

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