BioLiP

PDB

BioLiP

PDB CCD ID:

MNY

Number of entries in BioLiP:

Chemical formula:

C14 H10 N2 O4

InChI:

InChI=1S/C14H10N2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H,15-16H2

InChIKey:

QVEMRPAUHFWHRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N
CACTVS 3.341	Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
ACDLabs 10.04	O=C2c1c(c(N)ccc1N)C(=O)c3c2c(O)ccc3O

Name:

5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE

ChEMBL:

CHEMBL572879

DrugBank:

DB03924

ZINC:

ZINC000004734942

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).