BioLiP

PDB

BioLiP

PDB CCD ID:

8E7

Number of entries in BioLiP:

Chemical formula:

C12 H27 N S

InChI:

InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3

InChIKey:

WOWHRXFAFVDNAP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCCCCCCNCCS

Name:

2-(decylamino)ethane-1-thiol

ZINC:

ZINC000001736661

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).