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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 | CHEMBL2435853 |
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Molecular formula | C33H37ClN4O5 |
IUPAC name | 4-[5-[[4-[(5R)-5-(3-chlorophenyl)-3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methylpyridin-2-yl]oxybenzoic acid |
Molecular weight | 605.132 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | BDBM50441719 SCHEMBL5575383 4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-(3-chlorophenyl)-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid |
Inchi Key | UFZMURFKAOEOKB-PMERELPUSA-N |
Inchi ID | InChI=1S/C33H37ClN4O5/c1-22-25(7-10-31(35-22)43-29-8-5-23(6-9-29)32(39)40)20-36-15-11-28(12-16-36)38-30(24-3-2-4-26(34)19-24)21-37(33(38)41)27-13-17-42-18-14-27/h2-10,19,27-28,30H,11-18,20-21H2,1H3,(H,39,40)/t30-/m0/s1 |
PubChem CID | 58834906 |
ChEMBL | CHEMBL2435853 |
IUPHAR | N/A |
BindingDB | 50441719 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 283.0 nM | PMID24090135 | BindingDB |
IC50 | 283.4 nM | PMID24090135 | ChEMBL |
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