SEQ2FUN

BioLiP

PDB CCD ID: 8AT
Number of entries in BioLiP: 5
Chemical formula: C11 H12 N2
InChI: InChI=1S/C11H12N2/c1-8-7-10(12)9-5-3-4-6-11(9)13(8)2/h3-7,12H,1-2H3/b12-10+
InChIKey: LUHYAOUKGPHLIP-ZRDIBKRKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C(=CC(=N)c2ccccc12)C
OpenEye OEToolkits 2.0.7CC1=CC(=N)c2ccccc2N1C
OpenEye OEToolkits 2.0.7[H]/N=C/1\C=C(N(c2c1cccc2)C)C
Name:1,2-dimethylquinolin-4-imine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).