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Name | Mas-related G-protein coupled receptor member X1 |
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Species | Homo sapiens (Human) |
Gene | MRGPRX1 |
Synonym | Sensory neuron-specific G-protein coupled receptor 4 Sensory neuron-specific G-protein coupled receptor 3/4 MRGX1 MRGPRX1 Mrgprc11 [ Show all ] |
Disease | N/A |
Length | 322 |
Amino acid sequence | MDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLVGLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYPVMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWMLCGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILLTVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQRQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQ |
UniProt | Q96LB2 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q96LB2 |
3D structure model | This predicted structure model is from GPCR-EXP Q96LB2. |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5850 |
IUPHAR | 156 |
DrugBank | N/A |
Name | CHEMBL145103 |
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Molecular formula | C28H28N2O |
IUPAC name | 4-[(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)oxymethyl]benzonitrile |
Molecular weight | 408.545 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
Synonyms | 4-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymethyl)-benzonitrile SCHEMBL8799805 BDBM50029849 L007238 |
Inchi Key | VXGPTRVARWWDQI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H28N2O/c29-19-21-11-13-22(14-12-21)20-31-28-25-15-17-30(18-16-25)27(28)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25-28H,15-18,20H2 |
PubChem CID | 11661466 |
ChEMBL | CHEMBL145103 |
IUPHAR | N/A |
BindingDB | 50029849 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 556.0 nM | None | ChEMBL |
IC50 | 1850.0 nM | None | ChEMBL |
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