BioLiP

PDB

BioLiP

PDB CCD ID:

0AJ

Number of entries in BioLiP:

Chemical formula:

C5 H12 S2

InChI:

InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1

InChIKey:

RLVVEDPRNSYGPR-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCS[C@H](C)SC
ACDLabs 10.04	S(C)C(SCC)C
CACTVS 3.341	CCS[CH](C)SC
OpenEye OEToolkits 1.5.0	CCSC(C)SC

Name:

(1R)-1-(ethylsulfanyl)-1-(methylsulfanyl)ethane

ZINC:

ZINC000032163169

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).