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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 | CHEMBL3935694 |
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Molecular formula | C29H39N5O2 |
IUPAC name | N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide |
Molecular weight | 489.664 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | BDBM243753 SCHEMBL17270282 US9428456, 1.084 |
Inchi Key | CXHNWHUJHRHNAJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36) |
PubChem CID | 72703022 |
ChEMBL | CHEMBL3935694 |
IUPHAR | N/A |
BindingDB | 243753 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 39.0 nM | , None | BindingDB,ChEMBL |
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