BioLiP

PDB

BioLiP

PDB CCD ID:

PV2

Number of entries in BioLiP:

Chemical formula:

C14 H13 N O4 S

InChI:

InChI=1S/C14H13NO4S/c16-12-5-6-14(13(17)7-12)20(18,19)15-8-10-3-1-2-4-11(10)9-15/h1-7,16-17H,8-9H2

InChIKey:

GBZLIDQSMMVGSH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O
CACTVS 3.385	Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2
ACDLabs 12.01	O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3

Name:

4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol

ZINC:

ZINC000095920913

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).