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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 | CHEMBL3929887 |
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Molecular formula | C29H34N4O2 |
IUPAC name | N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-8-carboxamide |
Molecular weight | 470.617 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | BDBM243491 US9428456, 1.010 |
Inchi Key | CBEAPPSWJHTQSO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H34N4O2/c34-28(31-24-8-2-1-3-9-24)23-13-16-33(17-14-23)20-21-6-4-10-25(18-21)32-29(35)26-11-5-7-22-12-15-30-19-27(22)26/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17,20H2,(H,31,34)(H,32,35) |
PubChem CID | 129625942 |
ChEMBL | CHEMBL3929887 |
IUPHAR | N/A |
BindingDB | 243491 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 68.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218