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BioLiP Library

PDB CCD ID: 5SN
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3
InChI: InChI=1S/C12H11N3/c1-8-7-12-14-13-9(2)15(12)11-6-4-3-5-10(8)11/h3-7H,1-2H3
InChIKey: UZKVTJNMCRNIDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cc2nnc(n2c3c1cccc3)C
CACTVS 3.385Cc1cc2nnc(C)n2c3ccccc13
Name:1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline
ZINC: ZINC000000971285
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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