SEQ2FUN

BioLiP

PDB CCD ID: A1CUD
Number of entries in BioLiP: 1
Chemical formula: C12 H9 F N2 O
InChI: InChI=1S/C12H9FN2O/c13-10-5-1-2-6-11(10)15-12(16)9-4-3-7-14-8-9/h1-8H,(H,15,16)
InChIKey: NFDGKRRKIIFBAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccccc1NC(=O)c2cccnc2
ACDLabs 14.52O=C(Nc1ccccc1F)c1cccnc1
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC(=O)c2cccnc2)F
Name:N-(2-fluorophenyl)pyridine-3-carboxamide
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).