Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM513468
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
79.4±n/a nM
Citation
 Chao, J; Jain, R; Hu, L; Lewis, JG; Baribault, H; Caldwell, J Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators US Patent  US11091482 Publication Date 8/17/2021 
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:
BDBM513468
Synonyms:
US11091482, Compound I-23
Type:
Small organic molecule
Emp. Form.:
C26H20Cl2FN3O5S
Mol. Mass.:
576.424
SMILES:
Cc1onc(c1C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc2c(F)cc(cc2s1)C(O)=O)-c1c(Cl)cccc1Cl |r,wU:14.17,wD:11.18,9.9,TLB:8:9:16:12.13,(-7.81,-4.27,;-6.8,-5.43,;-7.14,-6.93,;-5.82,-7.72,;-4.66,-6.71,;-5.26,-5.29,;-4.47,-3.97,;-2.93,-4,;-5.22,-2.63,;-4.43,-1.31,;-4.21,-.07,;-5.09,1.51,;-6.72,1.71,;-5.55,1.04,;-4.1,1.16,;-3.23,-.34,;-3.89,2.48,;-3.12,3.81,;-1.59,3.97,;-1.27,5.48,;.06,6.25,;1.4,5.48,;.06,7.79,;-1.27,8.56,;-2.6,7.79,;-2.6,6.25,;-3.75,5.22,;-1.27,10.1,;.06,10.87,;-2.6,10.87,;-3.16,-7.05,;-2.11,-5.92,;-2.56,-4.45,;-.61,-6.27,;-.16,-7.74,;-1.2,-8.87,;-2.71,-8.53,;-3.75,-9.65,)|
Structure:
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