BioLiP

PDB

BioLiP

PDB CCD ID:

FJZ

Number of entries in BioLiP:

Chemical formula:

C15 H24 N4 S

InChI:

InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)

InChIKey:

QKDDJDBFONZGBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3
CACTVS 3.370	S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
ACDLabs 12.01	S=C(NC1CCCCC1)N3CCC(c2cncn2)CC3

Name:

N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

ChEMBL:

CHEMBL260374

ZINC:

ZINC000013108134

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).