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TargetBile acid receptor
LigandBDBM384546
Substrate/Competitorn/a
Meas. Tech.FRET Activity Assay
IC50 30.0±n/a nM
Citation Gege, C FXR (NR1H4) modulating compounds US Patent US9932332 Publication Date 4/3/2018
More Info.:Get all data from this article,  Assay Method
 
Bile acid receptor
Name:Bile acid receptor FXR
Synonyms:BAR | FXR | Farnesol receptor HRR-1 | NR1H4 | Nuclear receptor subfamily 1 group H member 4 | 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
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  Blast E-value cutoff:
BDBM384546
NameBDBM384546
Synonyms:2-(7-((5-cyclopropyl-3-(2,6- dichlorophenyl)isoxazol-4- yl)methoxy)-9-hydroxy-3- oxabicyclo[3.3.1]nonan-9- yl)benzo[d]thiazole-6- carboxylic acid | US9932332, 2
TypeSmall organic molecule
Emp. Form.C29H26Cl2N2O6S
Mol. Mass.601.498
SMILESOC(=O)c1ccc2nc(sc2c1)C1(O)C2COCC1CC(C2)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(-9.75,-4.95,;-8.98,-3.62,;-9.75,-2.29,;-7.44,-3.62,;-6.67,-4.95,;-5.13,-4.95,;-4.36,-3.62,;-2.85,-3.3,;-2.69,-1.77,;-4.1,-1.14,;-5.13,-2.29,;-6.67,-2.29,;-1.36,-1,;-2.45,.09,;-.02,-1.77,;.37,-.28,;-.79,-.76,;.13,.14,;-1.36,.54,;-.02,1.31,;1.31,.54,;1.31,-1,;2.64,1.31,;3.98,.54,;5.31,1.31,;5.31,2.85,;6.77,3.33,;7.68,2.08,;6.77,.83,;7.17,-.65,;6.08,-1.74,;4.6,-1.34,;6.48,-3.23,;7.97,-3.63,;9.06,-2.54,;8.66,-1.05,;9.75,.04,;3.98,3.62,;3.21,4.95,;2.44,3.62,)|
Structure
n/a