Reaction Details Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM465383
Substrate
n/a
Meas. Tech.
Binding Assay
EC50
50.1±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:
BDBM465383
Synonyms:
US10793568, Compound I-2
Type:
Small organic molecule
Emp. Form.:
C27H21Cl2N3O5S
Mol. Mass.:
570.444
SMILES:
OC(=O)c1ccc2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:16.17,wD:18.22,14.16,THB:19:18:13.12:15,8:12:18.17:15,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;,1.54,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,)|
Structure:
Search PDB for entries with ligand similarity: