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BioLiP

PDB CCD ID: 22F
Number of entries in BioLiP: 1
Chemical formula: C12 H8 F N O
InChI: InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKey: WTRWBYGUMQEFFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccc(F)cc1)c2ccncc2
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)c2ccncc2)F
CACTVS 3.341Fc1ccc(cc1)C(=O)c2ccncc2
Name:(4-fluorophenyl)(pyridin-4-yl)methanone;
4-(4-fluorobenzoyl)pyridine
ChEMBL: CHEMBL563196
DrugBank: DB06917
ZINC: ZINC000002583439
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).
  • 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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