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Name | G-protein coupled bile acid receptor 1 |
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Species | Mus musculus (Mouse) |
Gene | Gpbar1 |
Synonym | membrane-type receptor for bile acids M-BAR hGPCR19 GPR131 GPCR19 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 329 |
Amino acid sequence | MMTPNSTELSAIPMGVLGLSLALASLIVIANLLLALGIALDRHLRSPPAGCFFLSLLLAGLLTGLALPMLPGLWSRNHQGYWSCLLLHLTPNFCFLSLLANLLLVHGERYMAVLQPLRPHGSVRLALFLTWVSSLFFASLPALGWNHWSPDANCSSQAVFPAPYLYLEVYGLLLPAVGATALLSVRVLATAHRQLCEIRRLERAVCRDVPSTLARALTWRQARAQAGATLLFLLCWGPYVATLLLSVLAYERRPPLGPGTLLSLISLGSTSAAAVPVAMGLGDQRYTAPWRTAAQRCLRVLRGRAKRDNPGPSTAYHTSSQCSIDLDLN |
UniProt | Q80SS6 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1255150 |
IUPHAR | 37 |
DrugBank | N/A |
Name | CHEMBL3234554 |
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Molecular formula | C18H20ClFN4O |
IUPAC name | (3R)-N-[2-(4-chlorophenyl)ethyl]-1-(5-fluoropyrimidin-2-yl)piperidine-3-carboxamide |
Molecular weight | 362.833 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM50003306 |
Inchi Key | KUTJEWYDBTYQNW-CQSZACIVSA-N |
Inchi ID | InChI=1S/C18H20ClFN4O/c19-15-5-3-13(4-6-15)7-8-21-17(25)14-2-1-9-24(12-14)18-22-10-16(20)11-23-18/h3-6,10-11,14H,1-2,7-9,12H2,(H,21,25)/t14-/m1/s1 |
PubChem CID | 90654573 |
ChEMBL | CHEMBL3234554 |
IUPHAR | N/A |
BindingDB | 50003306 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 160.0 nM | PMID24666203 | BindingDB,ChEMBL |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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