BioLiP

PDB

BioLiP

PDB CCD ID:

8Z6

Number of entries in BioLiP:

Chemical formula:

C11 H10 O2 S

InChI:

InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2

InChIKey:

UVAAMJSQZGJWHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
OpenEye OEToolkits 2.0.6	C=C1C(=O)CC(CC1=O)c2cccs2

Name:

2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione

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).