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Structure paper

Title2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1g)inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5392-5395, Year 2012
Publish dateJul 10, 2012 (structure data deposition date)
AuthorsHua, Z. / Huang, X. / Bregman, H. / Chakka, N. / DiMauro, E.F. / Doherty, E.M. / Goldstein, J. / Gunaydin, H. / Huang, H. / Mercede, S. ...Hua, Z. / Huang, X. / Bregman, H. / Chakka, N. / DiMauro, E.F. / Doherty, E.M. / Goldstein, J. / Gunaydin, H. / Huang, H. / Mercede, S. / Newcomb, J. / Patel, V.F. / Turci, S.M. / Yan, J. / Wilson, C. / Martin, M.W.
External linksBioorg. Med. Chem. Lett. / PubMed:22877629
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-4g16:
Crystal structure of ck1g3 with 2-[(4-{[3-(TRIFLUOROMETHYL)PYRIDIN2-YL]OXY}PHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4g17:
Crystal structure of ck1g3 with 2-[(4-TERT-BUTYLPHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-0VM:
2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrile

ChemComp-HOH:
WATER

ChemComp-0VN:
2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / ck1g / kinase / inhibitor / TRANSFERASE-TRANSFERASE inhibitor complex

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