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BioLiP

PDB CCD ID: W3S
Number of entries in BioLiP: 8
Chemical formula: C6 H6 N4
InChI: InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
InChIKey: NCZQAIFOXJOCFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2c(c1)nnc2N
CACTVS 3.385Nc1nnc2ccccn12
ACDLabs 12.01n2c(n1ccccc1n2)N
Name:[1,2,4]triazolo[4,3-a]pyridin-3-amine
ZINC: ZINC000008616242
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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