BioLiP

PDB

BioLiP

PDB CCD ID:

WHL

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O2

InChI:

InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChIKey:

KVEDKKLZCJBVNP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)NC(=O)C
CACTVS 3.385	CC(=O)Nc1ccc(NC(C)=O)cc1
ACDLabs 12.01	O=C(C)Nc1ccc(cc1)NC(C)=O

Name:

N,N'-(1,4-phenylene)diacetamide

ZINC:

ZINC000000075340

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).