BioLiP

PDB

BioLiP

PDB CCD ID:

CF9

Number of entries in BioLiP:

Chemical formula:

C18 H9 N O6

InChI:

InChI=1S/C18H9NO6/c20-17(10-4-6-11(7-5-10)19(22)23)24-14-8-9-15-16-12(14)2-1-3-13(16)18(21)25-15/h1-9H

InChIKey:

JZRRRFGHBXIXDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-]
ACDLabs 12.01	[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc4OC(=O)c3cccc2c34
CACTVS 3.385	[O-][N+](=O)c1ccc(cc1)C(=O)Oc2ccc3OC(=O)c4cccc2c34

Name:

2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate

ChEMBL:

CHEMBL3088232

ZINC:

ZINC000095920798

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).