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Name | C-C chemokine receptor type 4 |
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Species | Homo sapiens (Human) |
Gene | CCR4 |
Synonym | K5-5 ChemR13 chemokine (C-C motif) receptor 4 CD194 CCR4 [ Show all ] |
Disease | Asthma Atopic dermatitis Autoimmune diabetes |
Length | 360 |
Amino acid sequence | MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL |
UniProt | P51679 |
Protein Data Bank | N/A |
GPCR-HGmod model | P51679 |
3D structure model | This predicted structure model is from GPCR-EXP P51679. |
BioLiP | N/A |
Therapeutic Target Database | T06955 |
ChEMBL | CHEMBL2414 |
IUPHAR | 61 |
DrugBank | N/A |
Name | CCR4 Antagonist |
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Molecular formula | C27H41N5O2 |
IUPAC name | N-cycloheptyl-6,7-dimethoxy-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-4-amine |
Molecular weight | 467.658 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | 2-(1,4''-bipiperidin-1''-yl)-N-cycloheptyl-6,7-dimethoxyquinazolin-4-amine BDBM50243945 MolPort-020-313-384 CHEMBL508207 NCGC00370891-01 [ Show all ] |
Inchi Key | WYVBISCFCHREDA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-12-21(13-17-32)31-14-8-5-9-15-31/h18-21H,3-17H2,1-2H3,(H,28,29,30) |
PubChem CID | 25141190 |
ChEMBL | CHEMBL508207 |
IUPHAR | 9478 |
BindingDB | 50243945 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 0.14 uM | PMID18539035 | ChEMBL |
IC50 | 18.0 nM | PMID18539035, PMID19081254 | BindingDB,IUPHAR,ChEMBL |
IC50 | 73.0 nM | PMID18539035 | BindingDB,ChEMBL |
IC50 | 140.0 nM | PMID19081254 | BindingDB,ChEMBL |
Inhibition | 92.0 % | PMID18539035 | ChEMBL |
Inhibition | 100.0 % | PMID18539035 | ChEMBL |
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