Target
Bile acid receptor
Ligand
BDBM50600979
Substrate
n/a
Meas. Tech.
ChEMBL_2235527 (CHEMBL5149299)
EC50
800±n/a nM
Citation
 Shim, SKrishnaiah, MSankham, MRKim, ILee, YShin, IOh, ARLee, HJVu, TNLPark, JChoi, SPark, SKwon, YFang, SKim, DK Discovery of ( J Med Chem 65:9974-10000 (2022) [PubMed] 
Target
Name:
Bile acid receptor
Synonyms:
BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Homo sapiens (Human)
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50600979
Synonyms:
CHEMBL5188201
Type:
Small organic molecule
Emp. Form.:
C33H35N3O3
Mol. Mass.:
521.6493
SMILES:
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(-c2ccc(cc2)N(C)C)c(c1)C#N)C(=O)C1CCCCC1
Structure:
Search PDB for entries with ligand similarity: