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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 | CHEMBL382826 |
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Molecular formula | C22H27Cl2N5O2 |
IUPAC name | [4-[4-[(2,4-dichlorophenyl)methoxy]pyrimidin-2-yl]piperazin-1-yl]-(1-methylpiperidin-3-yl)methanone |
Molecular weight | 464.391 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 3.5 |
Synonyms | BDBM50175673 (4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)piperazin-1-yl)(1-methylpiperidin-3-yl)methanone |
Inchi Key | ABSGSZGHJIFBCI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H27Cl2N5O2/c1-27-8-2-3-16(14-27)21(30)28-9-11-29(12-10-28)22-25-7-6-20(26-22)31-15-17-4-5-18(23)13-19(17)24/h4-7,13,16H,2-3,8-12,14-15H2,1H3 |
PubChem CID | 44406247 |
ChEMBL | CHEMBL382826 |
IUPHAR | N/A |
BindingDB | 50175673 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1200.0 nM | PMID16236499 | BindingDB,ChEMBL |
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