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BioLiP

PDB CCD ID: BZE
Number of entries in BioLiP: 6
Chemical formula: C9 H9 N5
InChI: InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
InChIKey: GZVHEAJQGPRDLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2nc(nc(n2)N)N
CACTVS 3.370Nc1nc(N)nc(n1)c2ccccc2
ACDLabs 12.01n1c(nc(nc1c2ccccc2)N)N
Name:6-phenyl-1,3,5-triazine-2,4-diamine;
BENZOGUANAMINE
ChEMBL: CHEMBL337319
ZINC: ZINC000004428660
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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