BioLiP

PDB

BioLiP

PDB CCD ID:

JLV

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 S

InChI:

InChI=1S/C8H16N2S/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)

InChIKey:

PRAZUYSYQSKVQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CNC(=S)NC1CCCCC1
ACDLabs 12.01	C1CCCC(NC(NC)=S)C1

Name:

N-cyclohexyl-N'-methylthiourea

ZINC:

ZINC000005412926

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).