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Ligand

Nameisothiourea-1a
Molecular formulaC19H30N4S2
IUPAC name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-dicyclohexylcarbamimidothioate
Molecular weight378.597
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsIT1a
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
[ Show all ]
Inchi KeyZEZPDHKACVMMCD-UHFFFAOYSA-N
Inchi IDInChI=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 CID11176403
ChEMBLCHEMBL452864
IUPHAR2900
BindingDB50246956
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
426855C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
426853C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
426857C-C chemokine receptor type 7P32248CCR7Homo sapiens (Human)378
426856C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369
426854C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
426852C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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