BioLiP

PDB

BioLiP

PDB CCD ID:

V6Z

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl N O3

InChI:

InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)

InChIKey:

NVWHFQJYAXGYIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)CNC(=O)c1ccccc1Cl
ACDLabs 12.01	O=C(NCC(=O)OC)c1ccccc1Cl

Name:

methyl N-(2-chlorobenzoyl)glycinate

ZINC:

ZINC000000437252

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).