SEQ2FUN

BioLiP

PDB CCD ID: A1BDJ
Number of entries in BioLiP: 2
Chemical formula: C10 H13 F N2 O
InChI: InChI=1S/C10H13FN2O/c11-8-1-2-10(12-7-8)13-9-3-5-14-6-4-9/h1-2,7,9H,3-6H2,(H,12,13)
InChIKey: DGYWCGILBGNERL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(NC2CCOCC2)nc1
OpenEye OEToolkits 3.1.0.0c1cc(ncc1F)NC2CCOCC2
ACDLabs 14.52Fc1ccc(nc1)NC1CCOCC1
Name:5-fluoro-N-(oxan-4-yl)pyridin-2-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).