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BioLiP

PDB CCD ID: 2J7
Number of entries in BioLiP: 2
Chemical formula: C18 H18 N4 O2
InChI: InChI=1S/C18H18N4O2/c23-15-7-3-1-5-13(15)10-19-17-9-18(22-12-21-17)20-11-14-6-2-4-8-16(14)24/h1-9,12,23-24H,10-11H2,(H2,19,20,21,22)
InChIKey: XTLGIBKGPXLOFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O
CACTVS 3.385Oc1ccccc1CNc2cc(NCc3ccccc3O)ncn2
ACDLabs 12.01n2c(NCc1ccccc1O)cc(nc2)NCc3ccccc3O
Name:2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol
ZINC: ZINC000095920814
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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