BioLiP

PDB

BioLiP

PDB CCD ID:

7M1

Number of entries in BioLiP:

Chemical formula:

C24 H18 O5 S

InChI:

InChI=1S/C24H18O5S/c25-19-10-6-17(7-11-19)23-15-14-22(16-24(23)18-8-12-20(26)13-9-18)30(27,28)29-21-4-2-1-3-5-21/h1-16,25-26H

InChIKey:

OBWTWQODGLXVRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O
ACDLabs 12.01	Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccccc2)ccc3c4ccc(cc4)O
CACTVS 3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccccc4

Name:

phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate

ZINC:

ZINC000584905417

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).