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Name | C-C chemokine receptor type 3 |
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Species | Homo sapiens (Human) |
Gene | CCR3 |
Synonym | MIP-1alphaRL-2 (mouse) Eosinophil eotaxin receptor CKR3 chemokine (C-C motif) receptor 3 CD193 [ Show all ] |
Disease | Allergic asthma Allergic rhinitis Asthma |
Length | 355 |
Amino acid sequence | MTTSLDTVETFGTTSYYDDVGLLCEKADTRALMAQFVPPLYSLVFTVGLLGNVVVVMILIKYRRLRIMTNIYLLNLAISDLLFLVTLPFWIHYVRGHNWVFGHGMCKLLSGFYHTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIVTWGLAVLAALPEFIFYETEELFEETLCSALYPEDTVYSWRHFHTLRMTIFCLVLPLLVMAICYTGIIKTLLRCPSKKKYKAIRLIFVIMAVFFIFWTPYNVAILLSSYQSILFGNDCERSKHLDLVMLVTEVIAYSHCCMNPVIYAFVGERFRKYLRHFFHRHLLMHLGRYIPFLPSEKLERTSSVSPSTAEPELSIVF |
UniProt | P51677 |
Protein Data Bank | N/A |
GPCR-HGmod model | P51677 |
3D structure model | This predicted structure model is from GPCR-EXP P51677. |
BioLiP | N/A |
Therapeutic Target Database | T02752, T85228 |
ChEMBL | CHEMBL3473 |
IUPHAR | 60 |
DrugBank | N/A |
Name | CHEMBL217928 |
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Molecular formula | C28H33F4N3O3 |
IUPAC name | 1-(3,5-diacetylphenyl)-3-[3-[(2S,4R)-4-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-2-yl]propyl]urea |
Molecular weight | 535.584 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 5.0 |
Synonyms | BDBM50193782 SCHEMBL18840947 1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl)propyl)-3-(3,5-diacetylphenyl)urea |
Inchi Key | AKEDNWBVXPATHJ-LVXARBLLSA-N |
Inchi ID | InChI=1S/C28H33F4N3O3/c1-18(36)22-14-23(19(2)37)16-25(15-22)34-27(38)33-10-3-4-26-13-21(9-11-35(26)17-28(30,31)32)12-20-5-7-24(29)8-6-20/h5-8,14-16,21,26H,3-4,9-13,17H2,1-2H3,(H2,33,34,38)/t21-,26-/m0/s1 |
PubChem CID | 44419305 |
ChEMBL | CHEMBL217928 |
IUPHAR | N/A |
BindingDB | 50193782 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1380.0 nM | PMID16931001 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417