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TargetBile acid receptor
LigandBDBM50336399
Substrate/Competitorn/a
Meas. Tech.ChEMBL_716784 (CHEMBL1670706)
IC50 830±n/a nM
Citation Richter, HGBenson, GMBleicher, KHBlum, DChaput, EClemann, NFeng, SGardes, CGrether, UHartman, PKuhn, BMartin, REPlancher, JMRudolph, MGSchuler, FTaylor, S Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties. Bioorg Med Chem Lett21:1134-40 (2011) [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:
BDBM50336399
n/a
NameBDBM50336399
Synonyms:CHEMBL1668252 | trans-2-(4-((S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]imidazol-1-yl)-2-cyclohexylacetamido)cyclohexyloxy)acetic acid
TypeSmall organic molecule
Emp. Form.C28H31ClF2N4O4
Mol. Mass.561.02
SMILESOC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:14.22,5.4,wD:8.11,(22.55,-43.58,;23.89,-44.35,;23.89,-45.89,;25.22,-43.58,;26.55,-44.35,;27.89,-43.58,;27.89,-42.04,;29.22,-41.27,;30.55,-42.03,;30.56,-43.57,;29.22,-44.35,;31.89,-41.27,;33.22,-42.05,;33.21,-43.59,;34.56,-41.29,;35.88,-42.07,;35.86,-43.61,;37.18,-44.39,;38.53,-43.64,;38.54,-42.1,;37.21,-41.31,;34.57,-39.75,;35.47,-38.49,;34.55,-37.24,;33.08,-37.73,;31.75,-36.97,;30.42,-37.74,;29.08,-36.97,;30.41,-39.28,;29.08,-40.05,;31.75,-40.05,;33.09,-39.28,;37.01,-38.48,;37.77,-37.14,;39.3,-37.13,;40.09,-38.46,;41.63,-38.45,;39.32,-39.8,;37.79,-39.81,)|
Structure
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