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BioLiP

PDB CCD ID: I46
Number of entries in BioLiP: 13
Chemical formula: C14 H9 F2 N3
InChI: InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
InChIKey: YJCHZVXSPFPKMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F
CACTVS 3.341Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3
ACDLabs 10.04Fc3nccc(c2nncc2c1ccc(F)cc1)c3
Name:2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
DrugBank: DB07942
ZINC: ZINC000053683300
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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