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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 | BDBM81845 |
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Molecular formula | C29H40N6O2 |
IUPAC name | N-(2-methylphenyl)-4-[3-[4-(6-methylpyridin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidine-1-carboxamide |
Molecular weight | 504.679 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | Bipiperidinyl carboxylic acid amide, 17 |
Inchi Key | CGSPFPJQNHFSPH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H40N6O2/c1-22-7-3-4-10-26(22)31-29(37)34-15-12-25(13-16-34)35-14-6-9-24(21-35)28(36)33-19-17-32(18-20-33)27-11-5-8-23(2)30-27/h3-5,7-8,10-11,24-25H,6,9,12-21H2,1-2H3,(H,31,37) |
PubChem CID | 23626728 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 81845 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID17718722 | BindingDB |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218