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BioLiP Library

PDB CCD ID: GN6
Number of entries in BioLiP: 1
Chemical formula: C12 H8 Cl2 N4
InChI: InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)
InChIKey: JFVBFJXXXHHBSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1nn2c(cccc2c3cccc(Cl)c3Cl)n1
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N
ACDLabs 12.01n12nc(nc1cccc2c3cccc(c3Cl)Cl)N
Name:5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
ChEMBL: CHEMBL4570428
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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