SEQ2FUN

BioLiP

PDB CCD ID: 6AQ
Number of entries in BioLiP: 1
Chemical formula: C9 H7 F N2
InChI: InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKey: KKKSMWMXKUAZHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(ccc1n2ccnc2)F
ACDLabs 12.01c2ncn(c1ccc(F)cc1)c2
CACTVS 3.385Fc1ccc(cc1)n2ccnc2
Name:1-(4-fluorophenyl)-1H-imidazole
ChEMBL: CHEMBL14216
ZINC: ZINC000002528152
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).