BioLiP

PDB

BioLiP

PDB CCD ID:

JVF

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O S

InChI:

InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)

InChIKey:

MFTVFFIYFANPCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCN(CC)CCNC(=O)c1ccccc1S

Name:

~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide

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).