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BioLiP

PDB CCD ID: BRN
Number of entries in BioLiP: 8
Chemical formula: C14 H15 N7
InChI: InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
InChIKey: XNYZHCFCZNMTFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N
CACTVS 3.341NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1
ACDLabs 10.04N(=N/Nc1ccc(cc1)C(=[N@H])N)\c2ccc(C(=[N@H])N)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=N)N)NN=Nc2ccc(cc2)C(=N)N
Name:BERENIL;
DIMINAZINE ACETURATE;
1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE
ChEMBL: CHEMBL35241
DrugBank: DB03608
ZINC: ZINC000003830706
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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