Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBile acid receptor
LigandBDBM21674
Substrate/Competitorn/a
Meas. Tech.ChEMBL_793021 (CHEMBL1932587)
EC50 16800±n/a nM
Citation Schuster, DMarkt, PGrienke, UMihaly-Bison, JBinder, MNoha, SMRollinger, JMStuppner, HBochkov, VNWolber, G Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation. Bioorg Med Chem19:7168-80 (2011) [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:
BDBM21674
n/a
NameBDBM21674
Synonyms:(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid | CDCA | CHENODIOL | Chenodeoxycholic Acid | US10208081, CDCA
TypeSteroid
Emp. Form.C24H40O4
Mol. Mass.392.572
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: