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Target
Bile acid receptor
Ligand
BDBM465619
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
2.00±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:
BDBM465619
Synonyms:
US10793568, Compound I-270
Type:
Small organic molecule
Emp. Form.:
C31H30ClN3O5S
Mol. Mass.:
592.105
SMILES:
Cc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1nc2c(OC3CC3)cc(cc2s1)C(O)=O |wU:18.20,22.24,wD:20.23,TLB:25:24:18.19:21,17:18:23.24:21,(2.4,-7.95,;3.53,-9,;5,-8.54,;6.13,-9.59,;5.79,-11.09,;4.32,-11.55,;3.98,-13.05,;3.19,-10.5,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,;.49,-10.03,;.51,-8.49,;-.81,-7.7,;-.79,-6.16,;.59,-5.87,;-.91,-5.25,;-3.16,-7.04,;-2.21,-5.81,;-2.53,-4.12,;-1.29,-3.77,;-.52,-2.44,;-1.14,-1.03,;;,1.54,;-1.33,2.31,;-1.33,3.85,;-2.1,5.18,;-.56,5.18,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;4,2.31,;5.33,1.54,;4,3.85,)|
Structure:
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