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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 | CHEMBL3938037 |
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Molecular formula | C22H28FN3O2S |
IUPAC name | N-tert-butyl-1-[[4-[(4-fluorobenzoyl)amino]thiophen-2-yl]methyl]piperidine-4-carboxamide |
Molecular weight | 417.543 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM243836 US9428456, 3.009 |
Inchi Key | BVFKGDGJVDBQAX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H28FN3O2S/c1-22(2,3)25-21(28)16-8-10-26(11-9-16)13-19-12-18(14-29-19)24-20(27)15-4-6-17(23)7-5-15/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,24,27)(H,25,28) |
PubChem CID | 129626156 |
ChEMBL | CHEMBL3938037 |
IUPHAR | N/A |
BindingDB | 243836 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 4.0 nM | , None | BindingDB,ChEMBL |
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