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BioLiP Library

PDB CCD ID: A1H27
Number of entries in BioLiP: 0
Chemical formula: C13 H12 N6 O2
InChI: InChI=1S/C13H12N6O2/c1-18-6-11(14-16-18)8-3-9(5-10(4-8)13(20)21)12-7-19(2)17-15-12/h3-7H,1-2H3,(H,20,21)
InChIKey: PDMVDNGDJJRIED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nn1)c2cc(cc(c2)c3cn(C)nn3)C(O)=O
OpenEye OEToolkits 2.0.7Cn1cc(nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C
Name:3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid
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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