BioLiP

PDB

BioLiP

PDB CCD ID:

A1LU9

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O4

InChI:

InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)

InChIKey:

VLEXAUHLNJBZLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1
OpenEye OEToolkits 2.0.7	CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C

Name:

N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide

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).