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Target
Oxytocin receptor
Ligand
BDBM50002414
Substrate
n/a
Meas. Tech.
ChEMBL_321073 (CHEMBL885138)
Ki
63±n/a nM
Citation
 Borthwick, AD; Davies, DE; Exall, AM; Livermore, DG; Sollis, SL; Nerozzi, F; Allen, MJ; Perren, M; Shabbir, SS; Woollard, PM; Wyatt, PG 2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 2. Synthesis, chirality, and pharmacokinetics. J Med Chem 48:6956-69 (2005) [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:
BDBM50002414
Synonyms:
CHEMBL194432
Type:
Small organic molecule
Emp. Form.:
C31H39N3O3
Mol. Mass.:
501.6597
SMILES:
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@@H](C2Cc3ccccc3C2)N(CC=C)C1=O
Structure:
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