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Structure paper

TitleDiscovery of A-770041, a Src-Family Selective Orally Active Lck Inhibitor that Prevents Organ Allograft Rejection.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 118-, Year 2006
Publish dateSep 3, 2005 (structure data deposition date)
AuthorsBurchat, A. / Borhani, D.W. / Calderwood, D.J. / Hirst, G.C. / Li, B. / Stachlewitz, R.F.
External linksBioorg. Med. Chem. Lett. / PubMed:16216497
MethodsX-ray diffraction
Resolution2.15 - 2.85 Å
Structure data

PDB-2c0i:
Src family kinase Hck with bound inhibitor A-420983
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2c0o:
Src family kinase Hck with bound inhibitor A-770041
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-2c0t:
Src family kinase Hck with bound inhibitor A-641359
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-L1G:
N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-L2G:
N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE

ChemComp-L3G:
N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TYROSINE-PROTEIN KINASE / ATP-BINDING / KINASE / LIPOPROTEIN / MYRISTATE / NUCLEOTIDE-BINDING / PALMITATE / PHOSPHORYLATION / SH2 DOMAIN / SH3 DOMAIN

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