BioLiP

PDB

BioLiP

PDB CCD ID:

A1IU1

Number of entries in BioLiP:

Chemical formula:

C11 H11 N O3

InChI:

InChI=1S/C11H11NO3/c1-8-10(4-6-14-8)11(13)12-7-9-3-2-5-15-9/h2-6H,7H2,1H3,(H,12,13)

InChIKey:

ZSEHNDARAQYZIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cco1)C(=O)NCc2ccco2
CACTVS 3.385	Cc1occc1C(=O)NCc2occc2

Name:

~{N}-(furan-2-ylmethyl)-2-methyl-furan-3-carboxamide

ChEMBL:

CHEMBL1305713

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).