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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 | CHEMBL2435914 |
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Molecular formula | C25H15F7N2O3S2 |
IUPAC name | N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]thiophene-3-carboxamide |
Molecular weight | 588.515 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 0 |
XlogP | 6.1 |
Synonyms | BDBM50441395 |
Inchi Key | KYEYYPTUJSBZIP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2 |
PubChem CID | 73353937 |
ChEMBL | CHEMBL2435914 |
IUPHAR | N/A |
BindingDB | 50441395 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 146.0 % | PMID24007860 | ChEMBL |
EC50 | 1090.0 nM | PMID24007860 | BindingDB,ChEMBL |
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