Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBile acid receptor
LigandBDBM465524
Substrate/Competitorn/a
Meas. Tech.Binding Assay
EC50 0.631±n/a nM
Citation Chao, JJain, RHu, LLewis, JGBaribault, HCaldwell, J Hormone receptor modulators for treating metabolic conditions and disorders US Patent US10793568 Publication Date 10/6/2020
More Info.:Get all data from this article,  Assay Method
 
Bile acid receptor
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:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM465524
n/a
NameBDBM465524
Synonyms:US10793568, Compound I-173
TypeSmall organic molecule
Emp. Form.C29H32Cl2N3O6P
Mol. Mass.620.461
SMILESCc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NCCP(O)(O)=O |wU:13.16,9.10,wD:11.11,THB:14:13:8.7:10,6:7:13.12:10,(6.09,-4.4,;5.07,-5.56,;5.57,-7.02,;4.56,-8.18,;3.05,-7.88,;2.55,-6.43,;3.56,-5.27,;3.06,-3.81,;3.61,-2.64,;2.13,-1.77,;1.83,-.25,;1.7,-3.12,;.25,-3.85,;.93,-2.61,;-.21,-1.58,;.11,-.08,;-1.04,.95,;-2.55,.63,;-3.32,1.96,;-2.29,3.11,;-.88,2.48,;.45,3.26,;1.79,2.49,;1.79,.95,;3.12,3.26,;3.12,4.8,;1.78,5.57,;.45,4.8,;-.89,5.56,;-3.17,-.78,;-3.01,-2.31,;-4.41,-1.69,;5.06,-9.64,;6.57,-9.93,;4.05,-10.8,;2.54,-10.5,;2.04,-9.04,;.53,-8.75,;.82,-7.24,;.23,-10.26,;-.98,-8.45,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: