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TargetBile acid receptor
LigandBDBM50544017
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1991214 (CHEMBL4624949)
EC50 25±n/a nM
Citation Masuda, AGohda, KIguchi, YFujimori, KYamashita, YOda, KUne, MTeno, N N Bioorg Med Chem28:0 (2020) [PubMed]  Article
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:
BDBM50544017
n/a
NameBDBM50544017
Synonyms:CHEMBL4648303
TypeSmall organic molecule
Emp. Form.C31H29Cl2N3O4
Mol. Mass.578.486
SMILESCC(C)Cn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(46.55,-42.95,;47.45,-44.19,;48.98,-44.02,;46.83,-45.59,;47.74,-46.84,;47.27,-48.3,;48.51,-49.2,;49.76,-48.3,;51.26,-48.61,;52.28,-47.46,;51.8,-46,;50.3,-45.69,;49.28,-46.83,;52.82,-44.85,;54.33,-45.16,;52.34,-43.38,;45.8,-48.78,;45.48,-50.29,;44.02,-50.76,;42.87,-49.73,;41.41,-50.21,;40.26,-49.17,;38.79,-49.66,;38.32,-51.12,;36.78,-51.12,;36.3,-49.65,;37.54,-48.75,;37.53,-47.2,;38.88,-46.43,;40.21,-47.2,;38.87,-44.87,;37.53,-44.11,;36.2,-44.88,;36.2,-46.43,;34.87,-47.2,;39.22,-52.36,;38.6,-53.77,;40.75,-52.2,;43.19,-48.23,;44.65,-47.75,)|
Structure
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