BioLiP

PDB

BioLiP

PDB CCD ID:

H3A

Number of entries in BioLiP:

Chemical formula:

C15 H14 Cl N O2

InChI:

InChI=1S/C15H14ClNO2/c1-19-14-7-2-4-11(8-14)9-15(18)17-13-6-3-5-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)

InChIKey:

NQDLKNWLTCKGFR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(CC(=O)Nc2cccc(Cl)c2)c1
ACDLabs 12.01	N(C(Cc1cccc(c1)OC)=O)c2cccc(c2)Cl
OpenEye OEToolkits 2.0.6	COc1cccc(c1)CC(=O)Nc2cccc(c2)Cl

Name:

N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide

ZINC:

ZINC000003548349

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).