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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	MLS000720325
Molecular formula	C17H22N4S
IUPAC name	1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea
Molecular weight	314.451
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	1-[2-(dimethylamino)-2-(3-pyridyl)ethyl]-3-(o-tolyl)thiourea N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-N'-(2-methylphenyl)thiourea HMS1625J12 SR-01000096490-1 AKOS022042235 1-[2-(dimethylamino)-2-pyridin-3-yl-ethyl]-3-(2-methylphenyl)thiourea CHEMBL1308389 SMR000236203 AC1NOH79 HMS2577M17 1-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]-3-(2-methylphenyl)thiourea BDBM83320 MolPort-007-632-993 1-[2-(dimethylamino)-2-pyridin-3-ylethyl]-3-(2-methylphenyl)thiourea cid_5113115 SR-01000096490 AKOS001503565 MCULE-5457103133 [ Show all ]
Inchi Key	CGRAGOYECIKOMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4S/c1-13-7-4-5-9-15(13)20-17(22)19-12-16(21(2)3)14-8-6-10-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)
PubChem CID	5113115
ChEMBL	CHEMBL1308389
IUPHAR	N/A
BindingDB	83320
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
41558	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
41556	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
41557	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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