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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 | CHEMBL3290737 |
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Molecular formula | C33H33ClN4O6 |
IUPAC name | ethyl 2-[3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-yl]propanoylamino]acetate |
Molecular weight | 617.099 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50019465 |
Inchi Key | LCPHXJRRBBZJNX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H33ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-11,14-15,18,21H,3,8-9,12-13,16-17,19H2,1-2H3,(H,36,39) |
PubChem CID | 90644447 |
ChEMBL | CHEMBL3290737 |
IUPHAR | N/A |
BindingDB | 50019465 |
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 |
---|---|---|---|
EC50 | 85.0 nM | PMID24863981 | BindingDB,ChEMBL |
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