SEQ2FUN

BioLiP

PDB CCD ID: U5V
Number of entries in BioLiP: 0
Chemical formula: C7 H8 F N
InChI: InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey: LRFWYBZWRQWZIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccccc1F
ACDLabs 12.01C(N)c1c(F)cccc1
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CN)F
Name:1-(2-fluorophenyl)methanamine
ChEMBL: CHEMBL12892
ZINC: ZINC000000161604
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).