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BioLiP

PDB CCD ID: HLL
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N5 O2
InChI: InChI=1S/C8H9N5O2/c14-8(15)7-9-1-3-12(7)5-6-13-4-2-10-11-13/h1-4H,5-6H2,(H,14,15)
InChIKey: BICABFBIPKZSEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn(c(n1)C(=O)O)CCn2ccnn2
CACTVS 3.385OC(=O)c1nccn1CCn2ccnn2
Name:1-[2-(1,2,3-triazol-1-yl)ethyl]imidazole-2-carboxylic acid
ChEMBL: CHEMBL5186837
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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