BioLiP

PDB

BioLiP

PDB CCD ID:

Y8G

Number of entries in BioLiP:

Chemical formula:

C8 H12 S

InChI:

InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3

InChIKey:

MNDZHERKKXUTOE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCc1cccs1
CACTVS 3.385	CCCCc1sccc1

Name:

2-butylthiophene

ZINC:

ZINC000002004015

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).