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BioLiP

PDB CCD ID: 466
Number of entries in BioLiP: 2
Chemical formula: C22 H19 N3 O2
InChI: InChI=1S/C22H19N3O2/c1-2-27-18-10-6-9-16(13-18)17-11-12-19-20(14-17)24-25-21(19)23-22(26)15-7-4-3-5-8-15/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKey: QKJLYUUEYRTLCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)c4ccccc4
CACTVS 3.385CCOc1cccc(c1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
Name:N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
ChEMBL: CHEMBL5088013
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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