BioLiP

PDB

BioLiP

PDB CCD ID:

XPT

Number of entries in BioLiP:

Chemical formula:

C9 H21 Cl S

InChI:

InChI=1S/C9H21ClS/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3

InChIKey:

OKMMYIYQBZXYLN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCC[S](Cl)(CCC)CCC
ACDLabs 12.01	ClS(CCC)(CCC)CCC
OpenEye OEToolkits 1.7.0	CCCS(CCC)(CCC)Cl

Name:

1-[chloro(dipropyl)-lambda~4~-sulfanyl]propane

ZINC:

ZINC000103561531

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).