BioLiP

PDB

BioLiP

PDB CCD ID:

B0V

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2

InChI:

InChI=1S/C12H17NO2/c1-8-5-9(2)12(10(3)6-8)13-11(14)7-15-4/h5-6H,7H2,1-4H3,(H,13,14)

InChIKey:

XZMRSYKEMFCZKR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(c(c(c1)C)NC(=O)COC)C
CACTVS 3.385	COCC(=O)Nc1c(C)cc(C)cc1C

Name:

2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide

ZINC:

ZINC000000363473

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).