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Name | Atypical chemokine receptor 3 |
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Species | Homo sapiens (Human) |
Gene | ACKR3 |
Synonym | RDC-1 GPR159 G-protein coupled receptor RDC1 homolog G-protein coupled receptor 159 Cxcr7 [ Show all ] |
Disease | Cancer Asthma |
Length | 362 |
Amino acid sequence | MDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK |
UniProt | P25106 |
Protein Data Bank | N/A |
GPCR-HGmod model | P25106 |
3D structure model | This predicted structure model is from GPCR-EXP P25106. |
BioLiP | N/A |
Therapeutic Target Database | T10491 |
ChEMBL | CHEMBL2010631 |
IUPHAR | 80 |
DrugBank | N/A |
Name | CHEMBL3982702 |
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Molecular formula | C24H31FN4O2 |
IUPAC name | N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-5-methylpyridine-3-carboxamide |
Molecular weight | 426.536 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.7 |
Synonyms | BDBM243967 US9428456, 4.019 |
Inchi Key | AKPQWVFYNAMCKR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H31FN4O2/c1-16-11-18(14-26-13-16)22(30)27-20-5-6-21(25)19(12-20)15-29-9-7-17(8-10-29)23(31)28-24(2,3)4/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,27,30)(H,28,31) |
PubChem CID | 129626248 |
ChEMBL | CHEMBL3982702 |
IUPHAR | N/A |
BindingDB | 243967 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 8.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218