Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50258109
Substrate
n/a
Meas. Tech.
ChEMBL_1690210 (CHEMBL4040780)
Kd
37±n/a nM
Citation
 Flesch, D; Cheung, SY; Schmidt, J; Gabler, M; Heitel, P; Kramer, J; Kaiser, A; Hartmann, M; Lindner, M; Lüddens-Dämgen, K; Heering, J; Lamers, C; Lüddens, H; Wurglics, M; Proschak, E; Schubert-Zsilavecz, M; Merk, D Nonacidic Farnesoid X Receptor Modulators. J Med Chem 60:7199-7205 (2017) [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:
BDBM50258109
Synonyms:
CHEMBL4077016
Type:
Small organic molecule
Emp. Form.:
C20H16Cl2N4O
Mol. Mass.:
399.28
SMILES:
COc1ccc(CNc2c(nc3ccc(Cl)cn23)-c2cc(Cl)ccn2)cc1
Structure:
Search PDB for entries with ligand similarity: