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BioLiP Library

PDB CCD ID: 6KN
Number of entries in BioLiP: 1
Chemical formula: C14 H10 F3 N3
InChI: InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
InChIKey: SERKGWYXQDCJCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F
ACDLabs 12.01c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3
CACTVS 3.385Cc1cnccc1c2cc(cc3[nH]ncc23)C(F)(F)F
Name:4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
ChEMBL: CHEMBL3798034
ZINC: ZINC000204911738
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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