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TitleMaximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 5800-5816, Year 2014
Publish dateMay 22, 2014 (structure data deposition date)
AuthorsStachel, S.J. / Sanders, J.M. / Henze, D.A. / Rudd, M.T. / Su, H.P. / Li, Y. / Nanda, K.K. / Egbertson, M.S. / Manley, P.J. / Jones, K.L. ...Stachel, S.J. / Sanders, J.M. / Henze, D.A. / Rudd, M.T. / Su, H.P. / Li, Y. / Nanda, K.K. / Egbertson, M.S. / Manley, P.J. / Jones, K.L. / Brnardic, E.J. / Green, A. / Grobler, J.A. / Hanney, B. / Leitl, M. / Lai, M.T. / Munshi, V. / Murphy, D. / Rickert, K. / Riley, D. / Krasowska-Zoladek, A. / Daley, C. / Zuck, P. / Kane, S.A. / Bilodeau, M.T.
External linksJ. Med. Chem. / PubMed:24914455
MethodsX-ray diffraction
Resolution1.8 - 2.8 Å
Structure data

PDB-4pmm:
The structure of TrkA kinase bound to the inhibitor N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4pmp:
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4pms:
The structure of TrkA kinase bound to the inhibitor 4-naphthalen-1-yl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4pmt:
The structure of TrkA kinase bound to the inhibitor N~4~-(4-morpholin-4-ylphenyl)-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-31V:
N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-{4-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-1H-1,2,3-triazol-1-yl}acetamide

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-31W:
1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea

ChemComp-31X:
4-(naphthalen-1-yl)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

ChemComp-31Y:
N~4~-[4-(morpholin-4-yl)phenyl]-N~6~-(pyridin-3-ylmethyl)pyrido[3,2-d]pyrimidine-4,6-diamine

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / kinase / Transferase-Transferase inhibitor complex

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