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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 | BDBM81833 |
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Molecular formula | C26H42N6O2 |
IUPAC name | N-tert-butyl-4-[3-[4-(6-methylpyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidine-1-carboxamide |
Molecular weight | 470.662 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.3 |
Synonyms | Bipiperidinyl carboxylic acid amide, 5 |
Inchi Key | FLTCTBLEAPHJHW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H42N6O2/c1-20-7-5-9-23(27-20)29-15-17-30(18-16-29)24(33)21-8-6-12-32(19-21)22-10-13-31(14-11-22)25(34)28-26(2,3)4/h5,7,9,21-22H,6,8,10-19H2,1-4H3,(H,28,34) |
PubChem CID | 23625934 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 81833 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 7400.0 nM | PMID17718722 | BindingDB |
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