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BioLiP

PDB CCD ID: 5LC
Number of entries in BioLiP: 8
Chemical formula: C19 H22 N2 O6
InChI: InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKey: BRWLZTCRFJVZDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O
CACTVS 3.385Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
Name:N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
ChEMBL: CHEMBL494328
ZINC: ZINC000040431154
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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