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Target
Oxytocin receptor
Ligand
BDBM50002413
Substrate
n/a
Meas. Tech.
ChEMBL_321073 (CHEMBL885138)
Ki
2±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:
BDBM50002413
Synonyms:
CHEMBL372554
Type:
Small organic molecule
Emp. Form.:
C31H40N4O4
Mol. Mass.:
532.6737
SMILES:
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(NC(C)=O)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Structure:
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