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BioLiP

PDB CCD ID: RJ6
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N5 O2
InChI: InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKey: VQKIGKHIRBCYNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)OC
CACTVS 3.341COc1cc(NC(=N)NC(N)=N)cc(OC)c1
ACDLabs 10.04O(c1cc(cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C
OpenEye OEToolkits 1.5.0[H]N=C(N)NC(=N[H])Nc1cc(cc(c1)OC)OC
Name:N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide;
{[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide
ChEMBL: CHEMBL1235693
DrugBank: DB08479
ZINC: ZINC000015924296
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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