BioLiP

PDB

BioLiP

PDB CCD ID:

QGT

Number of entries in BioLiP:

Chemical formula:

C14 H29 N S

InChI:

InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16)

InChIKey:

QJLABHJQAGUEGP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CCCCCCCCCCCCCNC=S

Name:

~{N}-tridecylmethanethioamide;
Tetradecyl-1-isothiocyanate (reacted form);
TITC (reacted form)

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).