BioLiP

PDB

BioLiP

PDB CCD ID:

VEC

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O4

InChI:

InChI=1S/C11H13NO4/c1-12(7-10(14)16-2)11(15)8-4-3-5-9(13)6-8/h3-6,13H,7H2,1-2H3

InChIKey:

SIYGHEABEISEBF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1cc(O)ccc1)N(C)CC(=O)OC
CACTVS 3.385	COC(=O)CN(C)C(=O)c1cccc(O)c1
OpenEye OEToolkits 2.0.7	CN(CC(=O)OC)C(=O)c1cccc(c1)O

Name:

methyl N-(3-hydroxybenzoyl)-N-methylglycinate

ZINC:

ZINC000019967250

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).