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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 | CHEMBL3234570 |
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Molecular formula | C27H32F3N7O2 |
IUPAC name | (3R)-N-[2-(4-cyanophenyl)ethyl]-1-[6-[4-(oxetan-3-yl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide |
Molecular weight | 543.595 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | BDBM50003559 |
Inchi Key | NINLJGBDNUJAET-OAQYLSRUSA-N |
Inchi ID | InChI=1S/C27H32F3N7O2/c28-27(29,30)26-33-23(36-12-10-35(11-13-36)22-17-39-18-22)14-24(34-26)37-9-1-2-21(16-37)25(38)32-8-7-19-3-5-20(15-31)6-4-19/h3-6,14,21-22H,1-2,7-13,16-18H2,(H,32,38)/t21-/m1/s1 |
PubChem CID | 90654589 |
ChEMBL | CHEMBL3234570 |
IUPHAR | N/A |
BindingDB | 50003559 |
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 | 0.5 nM | PMID24666203 | ChEMBL |
EC50 | 0.5 nM | PMID24666203 | BindingDB |
Efficacy | 100.0 % | PMID24666203 | ChEMBL |
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