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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 | CHEMBL3943089 |
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Molecular formula | C26H32ClN3O2 |
IUPAC name | 1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide |
Molecular weight | 454.011 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 4.8 |
Synonyms | BDBM243625 US9428456, 1.050 |
Inchi Key | BYZODOODQBEZRS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H32ClN3O2/c27-24-12-5-4-11-23(24)26(32)29-22-10-6-7-19(17-22)18-30-15-13-20(14-16-30)25(31)28-21-8-2-1-3-9-21/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2,(H,28,31)(H,29,32) |
PubChem CID | 129626031 |
ChEMBL | CHEMBL3943089 |
IUPHAR | N/A |
BindingDB | 243625 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 12.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218