Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetOxytocin receptor
LigandBDBM50077138
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1474018
Ki 4.0±n/a nM
Citation Karpenko, IAMargathe, JFRodriguez, TPflimlin, EDupuis, EHibert, MDurroux, TBonnet, D Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay. J Med Chem58:2547-52 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Oxytocin receptor
Name:Oxytocin receptor
Synonyms:OT-R | Oxytocin
Type:Enzyme Catalytic Domain
Mol. Mass.:42793.26
Organism:HEK293
Description:Oxytocin OXTR HEK293::B2R9L7
Residue:389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACV
LLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQV
VGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREV
ADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAA
AEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVW
DANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGET
SASKKSNSSSFVLSHRSSSQRSCSQPSTA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50077138
NameBDBM50077138
Synonyms:CHEMBL3416753
TypeSmall organic molecule
Emp. Form.C60H71ClF4N8O15S2
Mol. Mass.1319.827
SMILES[O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O |c:15|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a