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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 | CHEMBL3922915 |
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Molecular formula | C28H37N3O2 |
IUPAC name | N-cyclohexyl-1-[[3-[(2,6-dimethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide |
Molecular weight | 447.623 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.9 |
Synonyms | BDBM243870 US9428456, 1.108 |
Inchi Key | DJDTWTGIORYELG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H37N3O2/c1-20-8-6-9-21(2)26(20)28(33)30-25-13-7-10-22(18-25)19-31-16-14-23(15-17-31)27(32)29-24-11-4-3-5-12-24/h6-10,13,18,23-24H,3-5,11-12,14-17,19H2,1-2H3,(H,29,32)(H,30,33) |
PubChem CID | 129626177 |
ChEMBL | CHEMBL3922915 |
IUPHAR | N/A |
BindingDB | 243870 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 633.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218