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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000392397
Molecular formula	C20H20BrN3O3S
IUPAC name	N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide
Molecular weight	462.362
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-3-bromanyl-benzamide HMS2520K03 N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}-3-bromobenzamide AKOS034463980 MLS002636919 ZINC25228033 CHEMBL1506728 N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide MCULE-8535998152 SMR000261357 728941-50-2 BDBM54271 MolPort-005-884-762 cid_2394933 N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-bromobenzamide 3-bromo-N-(4-piperonylpiperazine-1-carbothioyl)benzamide AC1M6BCR Z56892458 [ Show all ]
Inchi Key	HCQWEAKUEYTKEF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20BrN3O3S/c21-16-3-1-2-15(11-16)19(25)22-20(28)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2,(H,22,25,28)
PubChem CID	2394933
ChEMBL	CHEMBL1506728
IUPHAR	N/A
BindingDB	54271
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
111536	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
111535	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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