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BioLiP

PDB CCD ID: 3SQ
Number of entries in BioLiP: 2
Chemical formula: C9 H7 F N2
InChI: InChI=1S/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey: QYDAFWKRBZYBOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc2ccc(c1ncnc1)cc2
OpenEye OEToolkits 1.9.2c1cc(ccc1c2c[nH]cn2)F
CACTVS 3.385Fc1ccc(cc1)c2c[nH]cn2
Name:4-(4-fluorophenyl)-1H-imidazole
ChEMBL: CHEMBL457835
ZINC: ZINC000005075283
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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