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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 | CHEMBL3234566 |
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Molecular formula | C25H32FN7O |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[5-fluoro-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperidine-3-carboxamide |
Molecular weight | 465.577 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50003337 |
Inchi Key | MQTKTGBFRROXDQ-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C25H32FN7O/c1-18-22(26)23(32-14-12-31(2)13-15-32)30-25(29-18)33-11-3-4-21(17-33)24(34)28-10-9-19-5-7-20(16-27)8-6-19/h5-8,21H,3-4,9-15,17H2,1-2H3,(H,28,34)/t21-/m1/s1 |
PubChem CID | 90654585 |
ChEMBL | CHEMBL3234566 |
IUPHAR | N/A |
BindingDB | 50003337 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 11.0 nM | PMID24666203 | BindingDB,ChEMBL |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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