SEQ2FUN

BioLiP

PDB CCD ID: T0V
Number of entries in BioLiP: 2
Chemical formula: C12 H12 F N O
InChI: InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKey: AFHNQIFVWMDQAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(CNCc1cc(F)ccc1)occc2
CACTVS 3.385Fc1cccc(CNCc2occc2)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)CNCc2ccco2
Name:1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
ZINC: ZINC000000268556
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).