BioLiP

PDB

BioLiP

PDB CCD ID:

3I0

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O7 S2

InChI:

InChI=1S/C10H9NO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

InChIKey:

APRRQJCCBSJQOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)O
CACTVS 3.385	Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
ACDLabs 12.01	O=S(=O)(O)c1cc2cc(cc(O)c2c(N)c1)S(=O)(=O)O

Name:

4-amino-5-hydroxynaphthalene-2,7-disulfonic acid

ChEMBL:

CHEMBL60494

ZINC:

ZINC000001648147

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).