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Reaction Details
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TargetBile acid receptor
LigandBDBM225914
Substrate/Competitorn/a
Meas. Tech.Scintillation Proximity Assay (SPA)
pH7.4±n/a
IC50 4640±n/a nM
Commentsextracted
Citation D3R DD Drug Design Data Resource Grand Challenge 2 Dataset: FXR - Farnesoid X Receptor D3R  882 Publication Date 4/13/2017
More Info.:Get all data from this article,  Assay Method
 
Bile acid receptor
Name:Bile acid receptor
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM225914
n/a
NameBDBM225914
Synonyms:FXR_2
TypeSmall Organic Molecule
Emp. Form.C22H19F2N3
Mol. Mass.363.4032
SMILESCc1cccc(C)c1Nc1c(nc2cccc(C)n12)-c1c(F)cccc1F |(4.66,-3.37,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.7,-6.94,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;5.4,-4.31,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-.32,-3.97,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,1.36,)|
Structure
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