SEQ2FUN

BioLiP

PDB CCD ID: 3QO
Number of entries in BioLiP: 3
Chemical formula: C12 H11 N
InChI: InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey: DBOLXXRVIFGDTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccc(cc1)Cc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Cc2ccncc2
CACTVS 3.370C(c1ccccc1)c2ccncc2
Name:4-benzylpyridine
ChEMBL: CHEMBL357322
ZINC: ZINC000000967336
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).