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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 | CHEMBL496787 |
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Molecular formula | C26H32ClN5O4 |
IUPAC name | [4-[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]morpholin-2-yl]methanol |
Molecular weight | 514.023 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM50265733 [4-(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}piperidin-4-yl)morpholin-2-yl]methanol |
Inchi Key | JHZGCUVRJZBRDR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H32ClN5O4/c1-34-23-13-21-22(14-24(23)35-2)29-26(30-25(21)28-18-5-3-17(27)4-6-18)31-9-7-19(8-10-31)32-11-12-36-20(15-32)16-33/h3-6,13-14,19-20,33H,7-12,15-16H2,1-2H3,(H,28,29,30) |
PubChem CID | 44581068 |
ChEMBL | CHEMBL496787 |
IUPHAR | N/A |
BindingDB | 50265733 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 100.0 nM | PMID19081254 | BindingDB,ChEMBL |
IC50 | 620.0 nM | PMID19081254 | BindingDB,ChEMBL |
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