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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 | CHEMBL3899041 |
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Molecular formula | C23H28N4O2 |
IUPAC name | N-[3-[[4-(cyclopropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-2-methylpyridine-4-carboxamide |
Molecular weight | 392.503 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.2 |
Synonyms | BDBM243774 US9428456, 1.203 |
Inchi Key | CXEYHRHABLCBJF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H28N4O2/c1-16-13-19(7-10-24-16)23(29)26-21-4-2-3-17(14-21)15-27-11-8-18(9-12-27)22(28)25-20-5-6-20/h2-4,7,10,13-14,18,20H,5-6,8-9,11-12,15H2,1H3,(H,25,28)(H,26,29) |
PubChem CID | 129626121 |
ChEMBL | CHEMBL3899041 |
IUPHAR | N/A |
BindingDB | 243774 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 56.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218