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BioLiP

PDB CCD ID: L5V
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Cl N5
InChI: InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKey: KOARCKONUFDYQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c(nc(cn1)Cl)c2nc[nH]n2
ACDLabs 12.01Clc2nc(c1ncnn1)cnc2
CACTVS 3.385Clc1cncc(n1)c2n[nH]cn2
Name:2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
ChEMBL: CHEMBL3099705
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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