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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 | CHEMBL252222 |
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Molecular formula | C23H31N7O3 |
IUPAC name | 1-[(2R,3S)-3-hydroxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]butan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea |
Molecular weight | 453.547 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 1.4 |
Synonyms | BDBM50231351 SCHEMBL18841017 1-((2R,3S)-3-hydroxy-4-(((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)(methyl)amino)butan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea |
Inchi Key | BVVNIEMHJMWNCD-ALGWMNEGSA-N |
Inchi ID | InChI=1S/C23H31N7O3/c1-15(20(31)14-29(3)16(2)21(32)17-9-6-5-7-10-17)24-23(33)25-19-12-8-11-18(13-19)22-26-27-28-30(22)4/h5-13,15-16,20-21,31-32H,14H2,1-4H3,(H2,24,25,33)/t15-,16+,20+,21+/m1/s1 |
PubChem CID | 44447369 |
ChEMBL | CHEMBL252222 |
IUPHAR | N/A |
BindingDB | 50231351 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | 5.7 nM | PMID18160284 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417