BioLiP

PDB

BioLiP

PDB CCD ID:

US8

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O2 S

InChI:

InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)

InChIKey:

XGQYGJKFUOSIIU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3
CACTVS 3.385	CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3

Name:

2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide;
2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

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).