SEQ2FUN

BioLiP

PDB CCD ID: WQY
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2
InChI: InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2
InChIKey: VKKZSJQQRIGUIE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1cc(CN)c2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(cn2)CN
CACTVS 3.385NCc1cnc2ccccc2c1
Name:1-(quinolin-3-yl)methanamine
ChEMBL: CHEMBL4556301
ZINC: ZINC000004854975
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).