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BioLiP

PDB CCD ID: 42I
Number of entries in BioLiP: 2
Chemical formula: C20 H15 N3 O2
InChI: InChI=1S/C20H15N3O2/c24-16-9-6-13(7-10-16)15-8-11-17-18(12-15)22-23-19(17)21-20(25)14-4-2-1-3-5-14/h1-12,24H,(H2,21,22,23,25)
InChIKey: AZRYWRIZWVORFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2ccc3c([nH]nc3NC(=O)c4ccccc4)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)Nc2c3ccc(cc3[nH]n2)c4ccc(cc4)O
Name:N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
ChEMBL: CHEMBL4095682
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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