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BioLiP

PDB CCD ID: 8UY
Number of entries in BioLiP: 2
Chemical formula: C13 H8 N4
InChI: InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H
InChIKey: DEYMFBHALUHGST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N
ACDLabs 12.01N#Cc3ccc(c2cccc1ncnn12)cc3
CACTVS 3.385N#Cc1ccc(cc1)c2cccc3ncnn23
Name:4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
ChEMBL: CHEMBL4083851
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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