BioLiP

PDB

BioLiP

PDB CCD ID:

RNA

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O4 S2

InChI:

InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-

InChIKey:

MXAPQGDBWFYKKX-ZROIWOOFSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(S/C1=C\c2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C
CACTVS 3.341	Cc1oc(cc1)C=C2SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3
OpenEye OEToolkits 1.5.0	Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2
CACTVS 3.341	Cc1oc(cc1)\C=C2/SC(=NC2=O)N[S](=O)(=O)c3ccc(C)cc3

Name:

4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE;
(Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE

ChEMBL:

CHEMBL376044

DrugBank:

DB08481

ZINC:

ZINC000004591645

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).