BioLiP

PDB

BioLiP

PDB CCD ID:

A1EC0

Number of entries in BioLiP:

Chemical formula:

C19 H19 N O6

InChI:

InChI=1S/C19H19NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)

InChIKey:

MMBIMPICMSSTDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
OpenEye OEToolkits 2.0.7	CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O

Name:

5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid

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).