BioLiP

PDB

BioLiP

PDB CCD ID:

WDN

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3 S

InChI:

InChI=1S/C9H11NO3S/c1-10(5-8(11)13-2)9(12)7-3-4-14-6-7/h3-4,6H,5H2,1-2H3

InChIKey:

DGJIUWOYENJXFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)CN(C)C(=O)c1cscc1
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN(CC(=O)OC)C(=O)c1ccsc1

Name:

methyl N-methyl-N-(thiophene-3-carbonyl)glycinate

ZINC:

ZINC000035163294

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).