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BioLiP Library

PDB CCD ID: 7EG
Number of entries in BioLiP: 2
Chemical formula: C19 H15 N O4
InChI: InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-11,21-24H/b20-11+
InChIKey: SFUGTTJDFJMSGN-RGVLZGJSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)C=NO)O)O
CACTVS 3.385O/N=C/c1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3
CACTVS 3.385ON=Cc1c(O)ccc(c2ccc(O)cc2)c1c3ccc(O)cc3
ACDLabs 12.01Oc1ccc(cc1)c2c(c(O)ccc2c3ccc(cc3)O)\C=N\O
Name:2~3~-[(E)-(hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,2~4~,3~4~-triol
ChEMBL: CHEMBL1782956
ZINC: ZINC000071282407
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)(download the PDF file).
  • 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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