BioLiP

PDB

BioLiP

PDB CCD ID:

1A3

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O3 S2

InChI:

InChI=1S/C16H14N2O3S2/c19-16-17-15(10-22-16)13-7-4-8-14(9-13)18-23(20,21)11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,17,19)

InChIKey:

UZACLOFDRFURFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3
ACDLabs 12.01	O=C3SC=C(c2cc(NS(=O)(=O)Cc1ccccc1)ccc2)N3
CACTVS 3.370	O=C1NC(=CS1)c2cccc(N[S](=O)(=O)Cc3ccccc3)c2

Name:

N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide

ChEMBL:

CHEMBL2349347

ZINC:

ZINC000095605554

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).