Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM465646
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
1.000±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:
BDBM465646
Synonyms:
US10793568, Compound I-297
Type:
Small organic molecule
Emp. Form.:
C30H25Cl2N3O6S
Mol. Mass.:
626.507
SMILES:
OC(=O)c1cc(OC2CC2)c2nc(sc2c1)N1[C@@H]2C[C@@H](OCc3c(onc3-c3c(Cl)cccc3Cl)C3CC3)[C@@H](C2)C1=O |wU:17.45,19.22,wD:38.44,TLB:41:40:18.19:39,THB:20:19:16.40:39,12:16:18.19:39,(-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;;1.33,-.77,;1.33,-2.31,;,-3.08,;-.77,-4.41,;-1.54,-3.08,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;11.63,1.34,;12.97,.59,;13.16,-.94,;14.67,-1.23,;15.42,.11,;14.37,1.24,;14.67,2.75,;16.13,3.25,;17.28,2.23,;16.42,4.76,;15.26,5.77,;13.81,5.27,;13.51,3.76,;12.05,3.27,;12.03,-1.98,;11.57,-3.46,;10.53,-2.33,;7.48,.91,;5.67,3.13,;6.89,-.6,;6.78,-2.14,)|
Structure:
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