SEQ2FUN

BioLiP

PDB CCD ID: A1BDI
Number of entries in BioLiP: 1
Chemical formula: C3 H3 F N2
InChI: InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey: RYXJXPHWRBWEEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c(cn[nH]1)F
ACDLabs 14.52Fc1c[NH]nc1
CACTVS 3.385Fc1c[nH]nc1
Name:4-fluoro-1H-pyrazole
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).