SEQ2FUN

BioLiP

PDB CCD ID: G3W
Number of entries in BioLiP: 1
Chemical formula: C21 H20 F N O
InChI: InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
InChIKey: BPPBYUPUAFZCNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)Oc2ccc(cc2)CNCCc3ccc(cc3)F
Name:2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
ChEMBL: CHEMBL4463223
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).