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BioLiP

PDB CCD ID: 6WL
Number of entries in BioLiP: 2
Chemical formula: C15 H11 F3 N2 O2
InChI: InChI=1S/C15H11F3N2O2/c1-20-14-10(3-2-4-11(14)15(16,17)18)13(19-20)9-6-5-8(21)7-12(9)22/h2-7,21-22H,1H3
InChIKey: GRCDZFUAPCSCFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O
CACTVS 3.385Cn1nc(c2ccc(O)cc2O)c3cccc(c13)C(F)(F)F
Name:4-[1-methyl-7-(trifluoromethyl)indazol-3-yl]benzene-1,3-diol
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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