BioLiP

PDB

BioLiP

PDB CCD ID:

VXD

Number of entries in BioLiP:

Chemical formula:

C9 H11 Cl N2 O

InChI:

InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)

InChIKey:

FPQHYOUXKZRHSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(Cl)cccc1NC(=O)CN
OpenEye OEToolkits 2.0.7	Cc1c(cccc1Cl)NC(=O)CN
ACDLabs 12.01	N(C(=O)CN)c1cccc(c1C)Cl

Name:

N-(3-chloro-2-methylphenyl)glycinamide

ZINC:

ZINC000003399182

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).