BioLiP

PDB

BioLiP

PDB CCD ID:

DPA

Number of entries in BioLiP:

Chemical formula:

C13 H15 N O5

InChI:

InChI=1S/C13H15NO5/c1-8(17-2)13(16)14-10-6-12(19-4)11(18-3)5-9(10)7-15/h5-7H,1H2,2-4H3,(H,14,16)

InChIKey:

RAMLKCJDRRPGLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cc(c(cc1OC)NC(=O)C(=C)OC)C=O
CACTVS 3.341	COC(=C)C(=O)Nc1cc(OC)c(OC)cc1C=O
ACDLabs 10.04	O=C(C(\OC)=C)Nc1cc(OC)c(OC)cc1C=O

Name:

4,5-DIMETHOXY-N-(2'-METHOXYPROPENOYL ANTHRANILATE)

ZINC:

ZINC000008206471

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).