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BioLiP

PDB CCD ID: 3E1
Number of entries in BioLiP: 1
Chemical formula: C16 H16 N2 O4
InChI: InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
InChIKey: PHJCCQZHFLRCAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(O)c(c1)c2cc(NC(C)=O)ccc2O
OpenEye OEToolkits 1.7.6CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O
ACDLabs 12.01O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C
Name:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide;
acetaminophen dimer
ZINC: ZINC000005160689
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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