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BioLiP

PDB CCD ID: J4Z
Number of entries in BioLiP: 1
Chemical formula: C20 H15 N5
InChI: InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3
InChIKey: OXYDLVAOXASTMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n5ncnc5n1
OpenEye OEToolkits 1.7.0Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3
ACDLabs 11.02n4c(cc(Nc3cc2cc1ccccc1cc2cc3)n5ncnc45)C
Name:N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
ChEMBL: CHEMBL475814
DrugBank: DB08006
ZINC: ZINC000040917822
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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