Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50559586
Substrate
n/a
Meas. Tech.
ChEMBL_2069840 (CHEMBL4725093)
Kd
300±n/a nM
Citation
 Helmstädter, M; Vietor, J; Sommer, J; Schierle, S; Willems, S; Kaiser, A; Schmidt, J; Merk, D A New FXR Ligand Chemotype with Agonist/Antagonist Switch. ACS Med Chem Lett 12:267-274 (2021) [PubMed]  Article 
Target
Name:
Bile acid receptor
Synonyms:
Farnesol receptor HRR-1 | Nuclear receptor subfamily 1 group H member 4 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor | NR1H4_HUMAN | NR1H4 | BAR | FXR | HRR1 | RIP14 | Bile acid receptor FXR
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Human
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50559586
Synonyms:
CHEMBL4756964
Type:
Small organic molecule
Emp. Form.:
C16H20N2O2
Mol. Mass.:
272.35
SMILES:
CC(C)(C)c1ccc(cc1)-c1cc(CCC(O)=O)n[nH]1
Structure:
Search PDB for entries with ligand similarity: