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Structure paper

TitleIdentification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 2065-2067, Year 2016
Publish dateJan 11, 2016 (structure data deposition date)
AuthorsStauffer, F. / Cowan-Jacob, S.W. / Scheufler, C. / Furet, P.
External linksBioorg. Med. Chem. Lett. / PubMed:26951750
MethodsX-ray diffraction
Resolution1.79 - 2.2 Å
Structure data

PDB-5hhw:
Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-5hzn:
Structure of NVP-AEW541 in complex with IGF-1R kinase
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-60O:
7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-66A:
7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / Complex / Insulin receptor / Kinase

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