Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBile acid receptor
LigandBDBM50306718
Substrate/Competitorn/a
Meas. Tech.ChEMBL_611889 (CHEMBL1070844)
EC50 190±n/a nM
Citation Lundquist, JTHarnish, DCKim, CYMehlmann, JFUnwalla, RJPhipps, KMCrawley, MLCommons, TGreen, DMXu, WHum, WTEta, JEFeingold, IPatel, VEvans, MJLai, KBorges-Marcucci, LMahaney, PEWrobel, JE Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates. J Med Chem53:1774-87 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bile acid receptor
Name:Bile acid receptor
Synonyms:Bar | Farnesoid X-activated receptor | Farnesol receptor HRR-1 | Fxr | NR1H4_MOUSE | Nr1h4 | Nuclear receptor subfamily 1 group H member 4 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | Rip14
Type:PROTEIN
Mol. Mass.:55996.68
Organism:Mus musculus
Description:ChEMBL_793021
Residue:488
Sequence:
MVMQFQGLENPIQISLHHSHRLSGFVPEGMSVKPAKGMLTEHAAGPLGQNLDLESYSPYN
NVPFPQVQPQISSSSYYSNLGFYPQQPEDWYSPGIYELRRMPAETGYQGETEVSEMPVTK
KPRMAAASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNC
VMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTANEDDS
EGRDLRQVTSTTKFCREKTELTADQQTLLDYIMDSYNKQRMPQEITNKILKEEFSAEENF
LILTEMATSHVQILVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGH
ADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAV
EKLQEPLLDVLQKLCKMYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPL
LCEIWDVQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50306718
n/a
NameBDBM50306718
Synonyms:CHEMBL602894 | Isopropyl 1,1-Dimethyl-3-[4-(2-morpholin-4-ylethoxy)benzoyl]-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
TypeSmall organic molecule
Emp. Form.C31H37N3O5
Mol. Mass.531.6426
SMILESCC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: