BioLiP

PDB

BioLiP

PDB CCD ID:

QLA

Number of entries in BioLiP:

Chemical formula:

C16 H10 F N O3

InChI:

InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H

InChIKey:

AVGHWZUEYVXFON-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)C(=C(C2=O)O)Nc3ccc(cc3)F
ACDLabs 12.01	C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O
CACTVS 3.385	OC1=C(Nc2ccc(F)cc2)C(=O)c3ccccc3C1=O

Name:

2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione

ChEMBL:

CHEMBL4566973

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).