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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 | CHEMBL488704 |
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Molecular formula | C25H30BrN5O2 |
IUPAC name | N-(3-bromophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine |
Molecular weight | 512.452 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | BDBM50245035 N-(3-Bromophenyl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine |
Inchi Key | HJQMVMHBYLQUMC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H30BrN5O2/c1-32-22-15-20-21(16-23(22)33-2)28-25(29-24(20)27-18-7-5-6-17(26)14-18)31-12-8-19(9-13-31)30-10-3-4-11-30/h5-7,14-16,19H,3-4,8-13H2,1-2H3,(H,27,28,29) |
PubChem CID | 44562156 |
ChEMBL | CHEMBL488704 |
IUPHAR | N/A |
BindingDB | 50245035 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 220.0 nM | PMID18694645 | BindingDB,ChEMBL |
IC50 | 510.0 nM | PMID18694645 | BindingDB,ChEMBL |
Inhibition | 36.0 % | PMID18694645 | ChEMBL |
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