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Name | G-protein coupled receptor 6 |
---|---|
Species | Homo sapiens (Human) |
Gene | GPR6 |
Synonym | GPR6 Sphingosine 1-phosphate receptor GPR6 |
Disease | N/A |
Length | 362 |
Amino acid sequence | MNASAASLNDSQVVVVAAEGAAAAATAAGGPDTGEWGPPAAAALGAGGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGCGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNALTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAHQIALQQHCLAPPHLAATRKGVGTLAVVLGTFGASWLPFAIYCVVGSHEDPAVYTYATLLPATYNSMINPIIYAFRNQEIQRALWLLLCGCFQSKVPFRSRSPSEV |
UniProt | P46095 |
Protein Data Bank | N/A |
GPCR-HGmod model | P46095 |
3D structure model | This predicted structure model is from GPCR-EXP P46095. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3714130 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3890613 |
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Molecular formula | C23H28F3N5O |
IUPAC name | 2-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbaldehyde |
Molecular weight | 447.506 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | BDBM191005 HEUAXVUHAAMCND-NRFANRHFSA-N (S)-2-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carbaldehyde SCHEMBL16818377 US9181249, 118 |
Inchi Key | HEUAXVUHAAMCND-NRFANRHFSA-N |
Inchi ID | InChI=1S/C23H28F3N5O/c1-14(2)27-22-23(29-19-7-8-30(13-32)12-20(19)28-22)31-9-5-15(6-10-31)21(26)17-4-3-16(24)11-18(17)25/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,27,28)/t21-/m0/s1 |
PubChem CID | 118159387 |
ChEMBL | CHEMBL3890613 |
IUPHAR | N/A |
BindingDB | 191005 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.0114 nM | , None | BindingDB,ChEMBL |
IC50 | 0.0236 nM | None | ChEMBL |
IC50 | 11400.0 nM | N/A | BindingDB |
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