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BioLiP

PDB CCD ID: P19
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N6
InChI: InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
InChIKey: LLYYAUZAGCZEKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
ACDLabs 10.04n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4
OpenEye OEToolkits 1.5.0c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4
Name:N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
ChEMBL: CHEMBL231095
DrugBank: DB08340
ZINC: ZINC000016052396
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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