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BioLiP

PDB CCD ID: JWS
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N5 O2
InChI: InChI=1S/C10H11N5O2/c1-17-5-2-3-7(16)6(4-5)8-13-9(11)15-10(12)14-8/h2-4,16H,1H3,(H4,11,12,13,14,15)
InChIKey: OQGZVJIFCDXDFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COc1ccc(c(c1)c2nc(nc(n2)N)N)O
ACDLabs 12.01n1c(nc(nc1c2c(O)ccc(OC)c2)N)N
CACTVS 3.370COc1ccc(O)c(c1)c2nc(N)nc(N)n2
Name:2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol
ChEMBL: CHEMBL1327043
ZINC: ZINC000036387975
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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