BioLiP

PDB

BioLiP

PDB CCD ID:

Q6O

Number of entries in BioLiP:

Chemical formula:

C10 H12 Cl N O3

InChI:

InChI=1S/C10H12ClNO3/c1-6(13)12-8-5-9(14-2)7(11)4-10(8)15-3/h4-5H,1-3H3,(H,12,13)

InChIKey:

OQKSIDOPPLSAOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(NC(C)=O)c(OC)cc1Cl
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cc(c(cc1OC)Cl)OC
ACDLabs 12.01	COc1cc(NC(C)=O)c(cc1Cl)OC

Name:

N-(4-chloro-2,5-dimethoxyphenyl)acetamide

ZINC:

ZINC000000060680

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).