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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 | CHEMBL3421897 |
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Molecular formula | C31H32Cl2N4O5 |
IUPAC name | ethyl 3-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]propanoate |
Molecular weight | 611.52 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50081119 |
Inchi Key | IIZAIMAUDSHALP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H32Cl2N4O5/c1-2-41-30(39)12-14-35-29(38)10-7-20-17-24(33)28(18-23(20)32)42-27-11-13-34-19-22(27)31(40)37-16-15-36(21-8-9-21)25-5-3-4-6-26(25)37/h3-6,11,13,17-19,21H,2,7-10,12,14-16H2,1H3,(H,35,38) |
PubChem CID | 71626833 |
ChEMBL | CHEMBL3421897 |
IUPHAR | N/A |
BindingDB | 50081119 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 17000.0 nM | PMID25710631 | BindingDB,ChEMBL |
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