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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 | CHEMBL3234580 |
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Molecular formula | C26H29F3N6O3 |
IUPAC name | 1-[6-[(3R)-3-[2-(4-cyanophenyl)ethylcarbamoyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid |
Molecular weight | 530.552 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50003565 |
Inchi Key | BCNFTQRTFDSTCZ-HXUWFJFHSA-N |
Inchi ID | InChI=1S/C26H29F3N6O3/c27-26(28,29)25-32-21(34-12-8-19(9-13-34)24(37)38)14-22(33-25)35-11-1-2-20(16-35)23(36)31-10-7-17-3-5-18(15-30)6-4-17/h3-6,14,19-20H,1-2,7-13,16H2,(H,31,36)(H,37,38)/t20-/m1/s1 |
PubChem CID | 90654593 |
ChEMBL | CHEMBL3234580 |
IUPHAR | N/A |
BindingDB | 50003565 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 10.0 nM | PMID24666203 | BindingDB |
EC50 | 10.0 nM | PMID24666203 | ChEMBL |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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