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Target
Oxytocin receptor
Ligand
BDBM50029649
Substrate
n/a
Meas. Tech.
ChEMBL_149054 (CHEMBL761408)
Ki
6.3±n/a nM
Citation
 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Bioorg Med Chem Lett 12:1405-11 (2002) [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:
BDBM50029649
Synonyms:
1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one | 1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one | CHEMBL24781 | L-371257
Type:
Small organic molecule
Emp. Form.:
C28H33N3O6
Mol. Mass.:
507.5781
SMILES:
COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Structure:
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