Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Bile acid receptor
Ligand
BDBM465598
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
15.8±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 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:
BDBM465598
Synonyms:
US10793568, Compound I-248
Type:
Small organic molecule
Emp. Form.:
C31H31Cl2N3O4S
Mol. Mass.:
612.567
SMILES:
CC(C)(C)c1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(O)=O |wU:17.18,19.23,wD:15.17,TLB:20:19:13.14:16,10:13:18.19:16,(1.33,-3.85,;1.33,-2.31,;2.87,-2.31,;-.21,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;4.13,2.02,;5.04,.77,;4.13,-.48,;2.67,,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;10.33,-.99,;11.67,-1.74,;13.07,-1.09,;14.12,-2.22,;13.37,-3.56,;11.86,-3.27,;10.73,-4.31,;9.26,-3.86,;8.91,-2.36,;8.13,-4.91,;8.47,-6.41,;9.94,-6.86,;11.07,-5.82,;12.54,-6.27,;13.37,.42,;12.87,1.88,;14.38,1.58,;-1.33,2.31,;-1.33,3.85,;-2.67,1.54,)|
Structure:
