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TitleOptimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7099-7107, Year 2017
Publish dateJul 6, 2017 (structure data deposition date)
AuthorsYamada, K. / Levell, J. / Yoon, T. / Kohls, D. / Yowe, D. / Rigel, D.F. / Imase, H. / Yuan, J. / Yasoshima, K. / DiPetrillo, K. ...Yamada, K. / Levell, J. / Yoon, T. / Kohls, D. / Yowe, D. / Rigel, D.F. / Imase, H. / Yuan, J. / Yasoshima, K. / DiPetrillo, K. / Monovich, L. / Xu, L. / Zhu, M. / Kato, M. / Jain, M. / Idamakanti, N. / Taslimi, P. / Kawanami, T. / Argikar, U.A. / Kunjathoor, V. / Xie, X. / Yagi, Y.I. / Iwaki, Y. / Robinson, Z. / Park, H.M.
External linksJ. Med. Chem. / PubMed:28771350
MethodsX-ray diffraction
Resolution2.006 - 2.458 Å
Structure data

PDB-5wdy:
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
Method: X-RAY DIFFRACTION / Resolution: 2.458 Å

PDB-5we8:
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Method: X-RAY DIFFRACTION / Resolution: 2.006 Å

Chemicals

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-A6S:
1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine

ChemComp-MN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-A7Y:
N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / inhibitor / TRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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