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Reaction Details
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TargetBile acid receptor
LigandBDBM30329
Substrate/CompetitorBiotinylated SRC-1 Peptide
Meas. Tech.FXR Ligand-Seeking Assay
pH7.5±n/a
Temperature295.15±n/a K
EC50 87±n/a nM
Comments134% efficacy.
Citation Akwabi-Ameyaw, ABass, JYCaldwell, RDCaravella, JAChen, LCreech, KLDeaton, DNJones, SAKaldor, ILiu, YMadauss, KPMarr, HBMcFadyen, RBMiller, ABIii, FNParks, DJSpearing, PKTodd, DWilliams, SPWisely, GB Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg Med Chem Lett18:4339-43 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM30329
NameBDBM30329
Synonyms:Naphthoic acid-based analog, 1b
TypeSmall organic molecule
Emp. Form.C30H23Cl2NO4
Mol. Mass.532.414
SMILESCC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Biotinylated SRC-1 Peptide
Name:Biotinylated SRC-1 Peptide
Synonyms:n/a
Type:Peptide
Mol. Mass.:3599.04
Organism:n/a
Description:n/a
Residue:32
Sequence:
biotin-CPSSHSSLTERHKILHRLLQEGSPS-CONH2