BioLiP

PDB

BioLiP

PDB CCD ID:

7M7

Number of entries in BioLiP:

Chemical formula:

C24 H17 Br O5 S

InChI:

InChI=1S/C24H17BrO5S/c25-18-5-11-21(12-6-18)30-31(28,29)22-13-14-23(16-1-7-19(26)8-2-16)24(15-22)17-3-9-20(27)10-4-17/h1-15,26-27H

InChIKey:

TXLBJIUVIDPKOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O
ACDLabs 12.01	Oc1ccc(cc1)c3cc(S(=O)(=O)Oc2ccc(cc2)Br)ccc3c4ccc(cc4)O
CACTVS 3.385	Oc1ccc(cc1)c2ccc(cc2c3ccc(O)cc3)[S](=O)(=O)Oc4ccc(Br)cc4

Name:

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

ZINC:

ZINC000584905443

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).