SEQ2FUN

BioLiP

PDB CCD ID: O3G
Number of entries in BioLiP: 8
Chemical formula: C14 H14 F N
InChI: InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey: SXZSRGKJZKOZRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N(Cc1ccc(F)cc1)Cc2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)CNCc2ccc(cc2)F
CACTVS 3.385Fc1ccc(CNCc2ccccc2)cc1
Name:N-benzyl-1-(4-fluorophenyl)methanamine
ZINC: ZINC000000280823
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).