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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 | CHEMBL3234562 |
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Molecular formula | C20H20F3N5O |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide |
Molecular weight | 403.409 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50003332 |
Inchi Key | JHOBZVPFLCMSFQ-MRXNPFEDSA-N |
Inchi ID | InChI=1S/C20H20F3N5O/c21-20(22,23)17-8-10-26-19(27-17)28-11-1-2-16(13-28)18(29)25-9-7-14-3-5-15(12-24)6-4-14/h3-6,8,10,16H,1-2,7,9,11,13H2,(H,25,29)/t16-/m1/s1 |
PubChem CID | 90654581 |
ChEMBL | CHEMBL3234562 |
IUPHAR | N/A |
BindingDB | 50003332 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 130.0 nM | PMID24666203 | BindingDB,ChEMBL |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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