SEQ2FUN

BioLiP

PDB CCD ID: BSX
Number of entries in BioLiP: 4
Chemical formula: C8 H10 F N
InChI: InChI=1S/C8H10FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey: RIKUOLJPJNVTEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCc1ccccc1F
OpenEye OEToolkits 2.0.4c1ccc(c(c1)CCN)F
Name:2-(2-fluorophenyl)ethanamine
ChEMBL: CHEMBL379916
ZINC: ZINC000000389782
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).