You can:
Name | G-protein coupled bile acid receptor 1 |
---|---|
Species | Homo sapiens (Human) |
Gene | GPBAR1 |
Synonym | G-protein coupled receptor GPCR19 TGR5 BG37 G protein-coupled bile acid receptor 1 membrane-type receptor for bile acids [ Show all ] |
Disease | Type 2 diabetes Metabolic disorders |
Length | 330 |
Amino acid sequence | MTPNSTGEVPSPIPKGALGLSLALASLIITANLLLALGIAWDRRLRSPPAGCFFLSLLLAGLLTGLALPTLPGLWNQSRRGYWSCLLVYLAPNFSFLSLLANLLLVHGERYMAVLRPLQPPGSIRLALLLTWAGPLLFASLPALGWNHWTPGANCSSQAIFPAPYLYLEVYGLLLPAVGAAAFLSVRVLATAHRQLQDICRLERAVCRDEPSALARALTWRQARAQAGAMLLFGLCWGPYVATLLLSVLAYEQRPPLGPGTLLSLLSLGSASAAAVPVAMGLGDQRYTAPWRAAAQRCLQGLWGRASRDSPGPSIAYHPSSQSSVDLDLN |
UniProt | Q8TDU6 |
Protein Data Bank | N/A |
GPCR-HGmod model | Q8TDU6 |
3D structure model | This predicted structure model is from GPCR-EXP Q8TDU6. |
BioLiP | N/A |
Therapeutic Target Database | T86273 |
ChEMBL | CHEMBL5409 |
IUPHAR | 37 |
DrugBank | BE0005788 |
Name | TAURODEOXYCHOLIC ACID |
---|---|
Molecular formula | C26H45NO6S |
IUPAC name | 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
Molecular weight | 499.707 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.6 |
Synonyms | 6SB Deoxycholyltaurine SODIUM TAURODEOXYCHOLATE Taurodesoxycholate 2-[[(3|A,5|A,12|A)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid [ Show all ] |
Inchi Key | AWDRATDZQPNJFN-VAYUFCLWSA-N |
Inchi ID | InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 |
PubChem CID | 2733768 |
ChEMBL | CHEMBL412272 |
IUPHAR | N/A |
BindingDB | 50375592 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | 12.0 % | PMID26435512 | ChEMBL |
Activity | 17.0 % | PMID26435512 | ChEMBL |
Activity | 18.0 % | PMID26435512 | ChEMBL |
Activity | 57.0 % | PMID26435512 | ChEMBL |
Activity | 65.0 % | PMID26435512 | ChEMBL |
Activity | 81.0 % | PMID26435512 | ChEMBL |
Activity | 104.0 % | PMID26435512 | ChEMBL |
Activity | 117.0 % | PMID26435512 | ChEMBL |
Activity | 119.0 % | PMID26435512 | ChEMBL |
EC50 | 680.0 nM | PMID26435512 | ChEMBL |
EC50 | 790.0 nM | PMID18307294 | BindingDB,ChEMBL |
EC50 | 8900.0 nM | PMID26435512 | ChEMBL |
Efficacy | 103.0 % | PMID18307294 | ChEMBL |
FC | 2.2 - | PMID26435512 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218