BioLiP

PDB

BioLiP

PDB CCD ID:

266

Number of entries in BioLiP:

Chemical formula:

C5 H12 O S

InChI:

InChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3

InChIKey:

KCWWXXYQPUDKBX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCSCCO
ACDLabs 10.04	OCCSCCC

Name:

2-(propylsulfanyl)ethanol

ZINC:

ZINC000001736716

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).