BioLiP

PDB

BioLiP

PDB CCD ID:

3E1

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(O)c(c1)c2cc(NC(C)=O)ccc2O
OpenEye OEToolkits 1.7.6	CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O
ACDLabs 12.01	O=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, Lydia 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).