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BioLiP

PDB CCD ID: 5I8
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N4
InChI: InChI=1S/C14H14N4/c1-9-7-10(2)17-14(16-9)18-8-11-5-3-4-6-12(11)13(18)15/h3-7,15H,8H2,1-2H3
InChIKey: CNIPEVQUYISKFW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)N2Cc3ccccc3C2=N)C
CACTVS 3.385Cc1cc(C)nc(n1)N2Cc3ccccc3C2=N
Name:2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine;
2-(4,6-Dimethylpyrimidin-2-yl)-2,3-dihydro-1H-isoindol-1-imine;
3466575
ChEMBL: CHEMBL1381805
ZINC: ZINC000012409087
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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