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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	C-C chemokine receptor type 7
Species	Homo sapiens (Human)
Gene	CCR7
Synonym	MIP-3 beta receptor Epstein-Barr virus-induced G-protein coupled receptor 1 EBV-induced G-protein coupled receptor 1 EBI1 EBI-1 CDw197 CD197 CCR7 CCR-7 CC-CKR-7 C-C CKR-7 BLR2 [ Show all ]
Disease	N/A
Length	378
Amino acid sequence	MDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWFLPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAKSWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCVGIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMSFCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCELSKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRHIRRSSMSVEAETTTTFSP
UniProt	P32248
Protein Data Bank	N/A
GPCR-HGmod model	P32248
3D structure model	This predicted structure model is from GPCR-EXP P32248.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4594
IUPHAR	N/A
DrugBank	N/A

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	GTPL2900 1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thiazol-3-yl)methyl)isothiourea 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 SCHEMBL3526900 BDBM50246956 D06MBD IT1a [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<3000.0 nM	PMID19053768	BindingDB,ChEMBL

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