BioLiP

PDB

BioLiP

PDB CCD ID:

NY7

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)

InChIKey:

SRFLDWOWAGQZAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(c(c1)NC(=O)CN)OC
ACDLabs 12.01	N(c1cc(ccc1OC)C)C(CN)=O
CACTVS 3.385	COc1ccc(C)cc1NC(=O)CN

Name:

N-(2-methoxy-5-methylphenyl)glycinamide

ZINC:

ZINC000004201706

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).