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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	isothiourea-1a
Molecular formula	C19H30N4S2
IUPAC name	5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclohexylcarbamimidothioate
Molecular weight	378.597
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	IT1a 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea GTPL2900 N,N'-dicyclohexyl({5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethyl}sulfanyl)methanimidamide CHEMBL452864 1,3-dicyclohexyl-2-(5,6-dihydroimidazo[2,1-b]thiazol-3-ylmethyl)isothiourea BDBM50246956 SCHEMBL3526900 D06MBD [ Show all ]
Inchi Key	ZEZPDHKACVMMCD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
PubChem CID	11176403
ChEMBL	CHEMBL452864
IUPHAR	2900
BindingDB	50246956
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
426855	C-C chemokine receptor type 4	P51679	CCR4	Homo sapiens (Human)	360
426853	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
426857	C-C chemokine receptor type 7	P32248	CCR7	Homo sapiens (Human)	378
426856	C-C chemokine receptor type 9	P51686	CCR9	Homo sapiens (Human)	369
426854	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360
426852	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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