BioLiP

PDB

BioLiP

PDB CCD ID:

A1ATQ

Number of entries in BioLiP:

Chemical formula:

C26 H18 N2 O4 S2

InChI:

InChI=1S/C26H18N2O4S2/c29-25-23(17-19-10-5-7-15-22(19)32-20-12-2-1-3-13-20)33-26(27-25)28-34(30,31)24-16-8-11-18-9-4-6-14-21(18)24/h1-17H,(H,27,28,29)/b23-17-

InChIKey:

KIEKSKXBVATTRQ-QJOMJCCJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccccc2C=C3C(=O)N=C(S3)NS(=O)(=O)c4cccc5c4cccc5
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccccc2/C=C\3/C(=O)N=C(S3)NS(=O)(=O)c4cccc5c4cccc5
CACTVS 3.385	O=C1N=C(N[S](=O)(=O)c2cccc3ccccc23)SC1=Cc4ccccc4Oc5ccccc5
CACTVS 3.385	O=C/1N=C(N[S](=O)(=O)c2cccc3ccccc23)SC/1=C/c4ccccc4Oc5ccccc5
ACDLabs 12.01	O=C1N=C(NS(=O)(=O)c2cccc3ccccc32)S\C1=C/c1ccccc1Oc1ccccc1

Name:

~{N}-[4-oxidanylidene-5-[(2-phenoxyphenyl)methylidene]-1,3-thiazol-2-yl]naphthalene-1-sulfonamide

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).