SEQ2FUN

BioLiP

PDB CCD ID: 29B
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F N3
InChI: InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
InChIKey: UCYCFYFNBWRJIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Fc1ccc(cc1)c2c[nH]nc2c3ccncc3
ACDLabs 12.01Fc3ccc(c2cnnc2c1ccncc1)cc3
OpenEye OEToolkits 1.7.2c1cc(ccc1c2c[nH]nc2c3ccncc3)F
Name:4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
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).