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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 | CHEMBL3982018 |
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Molecular formula | C25H31F3N4O3 |
IUPAC name | N-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-carboxamide |
Molecular weight | 492.543 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM243728 SCHEMBL17270154 US9428456, 1.346 |
Inchi Key | DJQJHFKVRJGZGC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H31F3N4O3/c1-4-24(2,3)30-22(33)18-11-13-31(14-12-18)16-17-7-5-8-19(15-17)29-23(34)20-9-6-10-21(32(20)35)25(26,27)28/h5-10,15,18H,4,11-14,16H2,1-3H3,(H,29,34)(H,30,33) |
PubChem CID | 118521864 |
ChEMBL | CHEMBL3982018 |
IUPHAR | N/A |
BindingDB | 243728 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 1.0 nM | , None | BindingDB,ChEMBL |
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