BioLiP

PDB

BioLiP

PDB CCD ID:

AZN

Number of entries in BioLiP:

Chemical formula:

C14 H8 O7 S

InChI:

InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)

InChIKey:

JKYKXTRKURYNGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O
ACDLabs 10.04	O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O

Name:

ALIZARIN RED

ChEMBL:

CHEMBL1206015

ZINC:

ZINC000003875857

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).