Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50139146
Substrate
n/a
Meas. Tech.
ChEMBL_1555978 (CHEMBL3767486)
Ki
7452±n/a nM
Citation
 Jorgensen, WT; Gulliver, DW; Werry, EL; Reekie, T; Connor, M; Kassiou, M Flexible analogues of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin 1a receptors. Eur J Med Chem 108:730-40 (2016) [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:
BDBM50139146
Synonyms:
CHEMBL3765356
Type:
Small organic molecule
Emp. Form.:
C30H40N6O3
Mol. Mass.:
532.677
SMILES:
COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc34)CC2)cc(OC)c1
Structure:
Search PDB for entries with ligand similarity: