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BioLiP

PDB CCD ID: A2C
Number of entries in BioLiP: 2
Chemical formula: C18 H20 N6 O2
InChI: InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22)
InChIKey: YUJGWDWOHQDFJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1
OpenEye OEToolkits 1.7.0c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2O)C(=N)N)O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/c1cc(c(cc1)O)C=NCCN=Cc2c(ccc(c2)/C(=N\[H])/N)O
Name:3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide)
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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