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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 | CHEMBL44134 |
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Molecular formula | C26H38Cl2N4O4S |
IUPAC name | 2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(3,3-dimethylbutyl)acetamide |
Molecular weight | 573.574 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | 2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[(3,3-dimethyl-butylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-morpholin-4-yl-propyl)-acetamide BDBM50142387 |
Inchi Key | FFQVZCLQZUZIOY-PXDATVDWSA-N |
Inchi ID | InChI=1S/C26H38Cl2N4O4S/c1-26(2,3)7-9-30-22(33)16-21-24(35)32(25(37-21)19-6-5-18(27)15-20(19)28)17-23(34)29-8-4-10-31-11-13-36-14-12-31/h5-6,15,21,25H,4,7-14,16-17H2,1-3H3,(H,29,34)(H,30,33)/t21-,25-/m1/s1 |
PubChem CID | 44289116 |
ChEMBL | CHEMBL44134 |
IUPHAR | N/A |
BindingDB | 50142387 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 21000.0 nM | PMID15026036 | BindingDB,ChEMBL |
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