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BioLiP Library

PDB CCD ID: 7GX
Number of entries in BioLiP: 1
Chemical formula: C22 H20 N4 O2
InChI: InChI=1S/C22H20N4O2/c1-3-14-10-17(27)7-9-18(14)15-5-8-19-20(11-15)25-26-21(19)22(28)24-16-6-4-13(2)23-12-16/h4-12,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKey: CUKXYSDQFPFABZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O
CACTVS 3.385CCc1cc(O)ccc1c2ccc3c([nH]nc3C(=O)Nc4ccc(C)nc4)c2
ACDLabs 12.01c1c(c(ccc1O)c4cc3nnc(C(Nc2ccc(C)nc2)=O)c3cc4)CC
Name:6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
ChEMBL: CHEMBL4101534
ZINC: ZINC000584905357
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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