BioLiP

PDB

BioLiP

PDB CCD ID:

MT6

Number of entries in BioLiP:

Chemical formula:

C15 H11 N O4

InChI:

InChI=1S/C15H11NO4/c1-19-15(18)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8H,1H3,(H,16,17)

InChIKey:

OVTGPKXYLOQTEQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC
CACTVS 3.385	COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 1.9.2	COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O

Name:

methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate

ZINC:

ZINC000263620866

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).