BioLiP

PDB

BioLiP

PDB CCD ID:

TTO

Number of entries in BioLiP:

Chemical formula:

C24 H20 As O2

InChI:

InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1

InChIKey:

AYGYLFIDAXGERM-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
ACDLabs 10.04	Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
CACTVS 3.341	Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4

Name:

(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM

DrugBank:

DB02086

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).