Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM465707
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
10.0±n/a nM
Citation
 Chao, J; Jain, R; Hu, L; Lewis, JG; Baribault, H; Caldwell, 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:
BDBM465707
Synonyms:
US10793568, Compound I-358
Type:
Small organic molecule
Emp. Form.:
C28H25Cl2N3O6
Mol. Mass.:
570.421
SMILES:
OC(=O)CNC(=O)c1ccc(cc1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:16.17,35.39,wD:14.40,TLB:17:16:37.13:36,10:13:16.15:36,THB:38:37:16.15:36,(4.04,-14.87,;3.54,-13.41,;2.03,-13.12,;4.55,-12.25,;4.05,-10.8,;5.06,-9.64,;6.57,-9.93,;4.56,-8.18,;5.57,-7.02,;5.07,-5.56,;3.56,-5.27,;2.55,-6.43,;3.05,-7.88,;3.06,-3.81,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;2.13,-1.77,;1.83,-.25,;3.61,-2.64,;5.09,-2.19,)|
Structure:
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