Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Bile acid receptor
Ligand
BDBM513482
Substrate
n/a
Meas. Tech.
Ligand Binding Assay
EC50
20.0±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 More Info.:
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:
BDBM513482
Synonyms:
US11091482, Compound I-37
Type:
Small organic molecule
Emp. Form.:
C28H23Cl2F3N2O5
Mol. Mass.:
595.394
SMILES:
OC(=O)c1ccc(cc1C(F)(F)F)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |r,wU:17.18,14.14,wD:19.23,THB:6:13:20.19.18:16.15,(8.81,-2.4,;7.48,-3.17,;7.48,-4.71,;6.14,-2.4,;6.14,-.86,;4.81,-.09,;3.47,-.86,;3.47,-2.4,;4.81,-3.22,;4.81,-4.76,;4.81,-6.3,;6.35,-4.76,;3.27,-4.76,;2.14,-.09,;2.14,1.45,;.6,1.45,;.04,.48,;.81,-.86,;-.53,-.09,;-.53,1.45,;.81,2.22,;-1.86,2.22,;-3.19,1.45,;-3.19,-.09,;-4.53,2.22,;-4.69,3.75,;-6.2,4.07,;-6.97,2.74,;-5.94,1.6,;-5.94,.06,;-5.17,-1.28,;-3.63,-1.28,;-5.94,-2.61,;-7.48,-2.61,;-8.25,-1.28,;-7.48,.06,;-8.81,.83,;-3.54,4.78,;-2.04,5.1,;-3.07,6.25,)|
Structure:
