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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 | CHEMBL3290718 |
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Molecular formula | C26H21BrClN3O3 |
IUPAC name | [4-[(2-bromo-6-chloro-3-methyl-1-benzofuran-5-yl)oxy]pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone |
Molecular weight | 538.826 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 6.3 |
Synonyms | BDBM50019491 SCHEMBL15933833 |
Inchi Key | MXKPEBZFAPYPGB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H21BrClN3O3/c1-15-17-12-24(19(28)13-23(17)34-25(15)27)33-22-8-9-29-14-18(22)26(32)31-11-10-30(16-6-7-16)20-4-2-3-5-21(20)31/h2-5,8-9,12-14,16H,6-7,10-11H2,1H3 |
PubChem CID | 77846087 |
ChEMBL | CHEMBL3290718 |
IUPHAR | N/A |
BindingDB | 50019491 |
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 | 66.0 nM | PMID24863981 | BindingDB,ChEMBL |
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