SEQ2FUN

BioLiP

PDB CCD ID: A1CVD
Number of entries in BioLiP: 1
Chemical formula: C11 H9 F N2 O
InChI: InChI=1S/C11H9FN2O/c12-9-3-1-2-4-10(9)15-11-6-5-8(13)7-14-11/h1-7H,13H2
InChIKey: YAFQPQWPYSVBIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)Oc2ccc(cn2)N)F
ACDLabs 14.52Fc1ccccc1Oc1ccc(N)cn1
CACTVS 3.385Nc1ccc(Oc2ccccc2F)nc1
Name:6-(2-fluorophenoxy)pyridin-3-amine
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).