BioLiP

PDB

BioLiP

PDB CCD ID:

2D4

Number of entries in BioLiP:

Chemical formula:

C20 H15 N O4 S2

InChI:

InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H

InChIKey:

NYXDSXZBPWSAFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O
ACDLabs 12.01	O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4

Name:

N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE

ChEMBL:

CHEMBL200628

ZINC:

ZINC000000793392

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).