BioLiP

PDB

BioLiP

PDB CCD ID:

YX2

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O3

InChI:

InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15)

InChIKey:

HGKMUPQEYVFOFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(=O)Nc1c2ccccc2oc1C(=O)N
CACTVS 3.385	CCC(=O)Nc1c(oc2ccccc12)C(N)=O
ACDLabs 12.01	CCC(=O)Nc1c2ccccc2oc1C(N)=O

Name:

3-propanamido-1-benzofuran-2-carboxamide

ZINC:

ZINC000000380718

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).