BioLiP

PDB

BioLiP

PDB CCD ID:

N67

Number of entries in BioLiP:

Chemical formula:

C11 H14 N4 O4 S2

InChI:

InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)

InChIKey:

PHSRIBPDBMYXMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O
OpenEye OEToolkits 2.0.6	Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC
CACTVS 3.385	CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1

Name:

N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide

ChEMBL:

CHEMBL3456175

ZINC:

ZINC000048340294

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).