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BioLiP

PDB CCD ID: TT4
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N5
InChI: InChI=1S/C8H9N5/c9-7-11-8(10)13(12-7)6-4-2-1-3-5-6/h1-5H,(H4,9,10,11,12)
InChIKey: QCYJCZJMOAWVPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)n2c(nc(n2)N)N
CACTVS 3.385Nc1nn(c2ccccc2)c(N)n1
ACDLabs 12.01n1c(N)n(nc1N)c2ccccc2
Name:1-phenyl-1H-1,2,4-triazole-3,5-diamine
ZINC: ZINC000000039697
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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