Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50077138
Substrate
n/a
Meas. Tech.
ChEMBL_1474018 (CHEMBL3419778)
KON
67166.666667 M-1s-1
Citation
 Karpenko, IA; Margathe, JF; Rodriguez, T; Pflimlin, E; Dupuis, E; Hibert, M; Durroux, T; Bonnet, D Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay. J Med Chem 58:2547-52 (2015) [PubMed]  Article 
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXTR | OXYR_HUMAN | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42793.26
Organism:
Homo sapiens (Human)
Description:
Oxytocin OXTR HEK293::B2R9L7
Residue:
389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
  
Inhibitor
Name:
BDBM50077138
Synonyms:
CHEMBL3416753
Type:
Small 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: