Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM461248
Substrate
n/a
Meas. Tech.
RET Activity Assay
EC50
25.0±n/a nM
Citation
 Blomgren, PA; Currie, KS; Gege, C; Kropf, JE; Xu, J FXR (NR1H4) modulating compounds US Patent  US10774054 Publication Date 9/15/2020 
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:
BDBM461248
Synonyms:
2-(3-(2-chloro-4-((5- cyclopropyl-3-(2,6-dichloro-4- fluorophenyl)isoxazol-4- yl)methoxy)phenyl)-3- hydroxyazetidin-1- yl)isonicotinic acid | US10774054, Example 2 | US10981881, Example 2
Type:
Small organic molecule
Emp. Form.:
C28H21Cl3FN3O5
Mol. Mass.:
604.841
SMILES:
OC(=O)c1ccnc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)cc1Cl |(-10.51,4.48,;-8.97,4.48,;-8.2,5.81,;-8.2,3.14,;-8.97,1.81,;-8.2,.48,;-6.66,.48,;-5.89,1.81,;-6.66,3.14,;-4.35,1.81,;-3.26,2.9,;-2.17,1.81,;-2.17,3.35,;-3.26,.72,;-.63,1.81,;.14,3.14,;1.68,3.14,;2.45,1.81,;3.99,1.81,;5.13,.78,;6.6,1.25,;7.07,2.72,;8.61,2.72,;9.09,1.25,;7.84,.35,;7.84,-1.19,;9.18,-1.96,;10.51,-1.19,;9.18,-3.5,;7.84,-4.27,;7.84,-5.81,;6.51,-3.5,;6.51,-1.96,;5.18,-1.19,;6.17,3.97,;6.01,5.5,;4.76,4.59,;1.68,.48,;.14,.48,;-.63,-.86,)|
Structure:
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