Target
Bile acid receptor
Ligand
BDBM465592
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
6.31±n/a nM
Citation
 Chao, JJain, RHu, LLewis, JGBaribault, HCaldwell, J Hormone receptor modulators for treating metabolic conditions and disorders US Patent  US10793568 Publication Date 10/6/2020 
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:
BDBM465592
Synonyms:
US10793568, Compound I-242
Type:
Small organic molecule
Emp. Form.:
C32H35ClFN3O5S
Mol. Mass.:
628.154
SMILES:
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(CCC(=O)NS(=O)(=O)C2CC2)cc1F |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(-.89,5.56,;.45,4.8,;1.78,5.57,;3.12,4.8,;3.12,3.26,;1.79,2.49,;1.79,.95,;.45,3.26,;-.88,2.48,;-2.29,3.11,;-3.32,1.96,;-2.55,.63,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;-1.04,.95,;.11,-.08,;-.21,-1.58,;.93,-2.61,;.25,-3.85,;1.7,-3.12,;1.83,-.25,;2.13,-1.77,;3.61,-2.64,;3.06,-3.81,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;4.56,-8.18,;5.06,-9.64,;6.57,-9.93,;7.58,-8.77,;9.1,-9.07,;7.09,-7.31,;8.1,-6.15,;6.94,-5.14,;9.11,-4.99,;9.26,-7.16,;10.77,-7.46,;9.76,-8.62,;5.57,-7.02,;5.07,-5.56,;6.09,-4.4,)|
Structure:
Search PDB for entries with ligand similarity: