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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 | CHEMBL1257381 |
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Molecular formula | C23H19BrN2O2S |
IUPAC name | 3-[[2-(4-bromophenyl)ethylamino]methyl]-2-thiophen-3-ylquinoline-7-carboxylic acid |
Molecular weight | 467.381 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | SCHEMBL4741346 BDBM50327536 KFUJPWYOARIOCE-UHFFFAOYSA-N 3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl)quinoline-7-carboxylic acid |
Inchi Key | KFUJPWYOARIOCE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H19BrN2O2S/c24-20-5-1-15(2-6-20)7-9-25-13-19-11-16-3-4-17(23(27)28)12-21(16)26-22(19)18-8-10-29-14-18/h1-6,8,10-12,14,25H,7,9,13H2,(H,27,28) |
PubChem CID | 52949831 |
ChEMBL | CHEMBL1257381 |
IUPHAR | N/A |
BindingDB | 50327536 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <10000.0 nM | PMID20801037 | BindingDB,ChEMBL |
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