BioLiP

PDB

BioLiP

PDB CCD ID:

9YZ

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2 O3

InChI:

InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3

InChIKey:

WXZWPPNMQAIVTN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC(=O)N1CCN(c2c1cccc2)C(=O)OC
CACTVS 3.385	CCC(=O)N1CCN(C(=O)OC)c2ccccc12

Name:

methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

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).