BioLiP

PDB

BioLiP

PDB CCD ID:

JUF

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O2 S

InChI:

InChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)

InChIKey:

QOTMPSXFERGPKP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COCCNC(=O)c1cc(sc1N)c2ccccc2

Name:

2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide

ChEMBL:

CHEMBL2130539

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).