BioLiP

PDB

BioLiP

PDB CCD ID:

91L

Number of entries in BioLiP:

Chemical formula:

C15 H9 N O5

InChI:

InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21)

InChIKey:

MQFPVUCMBCTZAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1c(cc(O)c2C(=O)c3ccccc3C(=O)c12)C(O)=O
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)C(=O)O)O
ACDLabs 12.01	c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O

Name:

1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

ZINC:

ZINC000004007416

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).