SEQ2FUN

BioLiP

PDB CCD ID: 1Z6
Number of entries in BioLiP: 1
Chemical formula: C10 H9 F N2
InChI: InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey: XUVCYVPANABQRL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc2ccc(c1cnnc1C)cc2
OpenEye OEToolkits 1.9.2Cc1c(c[nH]n1)c2ccc(cc2)F
CACTVS 3.385Cc1n[nH]cc1c2ccc(F)cc2
Name:4-(4-fluorophenyl)-3-methyl-1H-pyrazole
ZINC: ZINC000098208065
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).