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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 | CHEMBL1257380 |
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Molecular formula | C23H18BrF3N2OS |
IUPAC name | 2-(4-bromophenyl)-N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]ethanamine |
Molecular weight | 507.369 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 6.7 |
Synonyms | BDBM50327535 2-(4-bromophenyl)-N-((2-(thiophen-3-yl)-7-(trifluoromethoxy)quinolin-3-yl)methyl)ethanamine |
Inchi Key | COABNJKRUFUDCE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H18BrF3N2OS/c24-19-4-1-15(2-5-19)7-9-28-13-18-11-16-3-6-20(30-23(25,26)27)12-21(16)29-22(18)17-8-10-31-14-17/h1-6,8,10-12,14,28H,7,9,13H2 |
PubChem CID | 52947397 |
ChEMBL | CHEMBL1257380 |
IUPHAR | N/A |
BindingDB | 50327535 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID20801037 | BindingDB,ChEMBL |
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