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BioLiP

PDB CCD ID: X66
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N5 O2
InChI: InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14)
InChIKey: FFMXQJGTUTXUCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1O)c2nc(nc(n2)N)N)O
ACDLabs 12.01n1c(nc(nc1c2c(O)ccc(O)c2)N)N
CACTVS 3.370Nc1nc(N)nc(n1)c2cc(O)ccc2O
Name:2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol
ChEMBL: CHEMBL1551934
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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