BioLiP

PDB

BioLiP

PDB CCD ID:

A1LXQ

Number of entries in BioLiP:

Chemical formula:

C17 H13 N O6

InChI:

InChI=1S/C17H13NO6/c1-22-16(20)10-5-9(6-11(7-10)17(21)23-2)14-8-12-13(24-14)3-4-18-15(12)19/h3-8H,1-2H3,(H,18,19)

InChIKey:

RYAJKWVOTXPFPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)c1cc(cc(c1)C(=O)OC)c2cc3c(o2)C=CNC3=O
CACTVS 3.385	COC(=O)c1cc(cc(c1)c2oc3C=CNC(=O)c3c2)C(=O)OC

Name:

dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate

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).