SEQ2FUN

BioLiP

PDB CCD ID: GG5
Number of entries in BioLiP: 12
Chemical formula: C14 H10 F N3
InChI: InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKey: BILJSHVAAVZERY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F
ACDLabs 10.04Fc3ccc(c2nncc2c1ccncc1)cc3
CACTVS 3.341Fc1ccc(cc1)c2n[nH]cc2c3ccncc3
Name:4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
ChEMBL: CHEMBL1233024
DrugBank: DB07829
ZINC: ZINC000016052350
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).