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BioLiP

PDB CCD ID: 6NM
Number of entries in BioLiP: 1
Chemical formula: C15 H10 F3 N3
InChI: InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
InChIKey: UZOPNNYVHHABCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3
CACTVS 3.385FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3
Name:4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
ChEMBL: CHEMBL4476705
ZINC: ZINC000001502390
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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