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Structure paper

TitleFragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 798-803, Year 2015
Publish dateJun 5, 2015 (structure data deposition date)
AuthorsMurray, C.W. / Berdini, V. / Buck, I.M. / Carr, M.E. / Cleasby, A. / Coyle, J.E. / Curry, J.E. / Day, J.E. / Day, P.J. / Hearn, K. ...Murray, C.W. / Berdini, V. / Buck, I.M. / Carr, M.E. / Cleasby, A. / Coyle, J.E. / Curry, J.E. / Day, J.E. / Day, P.J. / Hearn, K. / Iqbal, A. / Lee, L.Y. / Martins, V. / Mortenson, P.N. / Munck, J.M. / Page, L.W. / Patel, S. / Roomans, S. / Smith, K. / Tamanini, E. / Saxty, G.
External linksAcs Med. Chem. Lett. / PubMed:26191369
MethodsX-ray diffraction
Resolution1.94 - 2.29 Å
Structure data

PDB-5bvk:
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-5bvn:
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-5bvo:
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5bvw:
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-IOD:
IODIDE ION

ChemComp-4VC:
1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea

ChemComp-HOH:
WATER

ChemComp-4VD:
N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

ChemComp-4VE:
N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

ChemComp-1N1:
N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE / medication*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DDR1 / fragments

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