SEQ2FUN

BioLiP

PDB CCD ID: A1AJ2
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c1-11-10-9-5-3-2-4-8(9)6-7-12-10/h2-7H,1H3,(H,11,12)
InChIKey: BILUZSWZYDFPMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1nccc2ccccc12
OpenEye OEToolkits 2.0.7CNc1c2ccccc2ccn1
ACDLabs 12.01CNc1nccc2ccccc21
Name:N-methylisoquinolin-1-amine
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).