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Target
Oxytocin receptor
Ligand
BDBM50262153
Substrate
n/a
Meas. Tech.
ChEMBL_661577 (CHEMBL1253141)
Ki
304±n/a nM
Citation
 Borthwick, AD Oral oxytocin antagonists. J Med Chem 53:6525-38 (2010) [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:
BDBM50262153
Synonyms:
4-{2-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-ethyl}-morpholine | CHEMBL467154
Type:
Small organic molecule
Emp. Form.:
C27H28N4O2
Mol. Mass.:
440.5368
SMILES:
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCN1CCOCC1 |(3.08,-26.59,;1.54,-26.43,;.77,-25.1,;-.74,-25.43,;-.89,-26.97,;-2.22,-27.75,;-2.21,-29.29,;-3.54,-30.07,;-4.87,-29.29,;-4.89,-27.76,;-3.56,-26.99,;-6.21,-30.07,;-7.54,-29.31,;-8.87,-30.08,;-8.87,-31.62,;-7.54,-32.39,;-6.2,-31.62,;.52,-27.58,;.54,-29.12,;-.78,-29.9,;-.76,-31.44,;.58,-32.19,;1.91,-31.4,;1.88,-29.86,;3.2,-29.06,;4.55,-29.81,;5.87,-29.01,;7.22,-29.76,;7.24,-31.29,;8.58,-32.04,;9.9,-31.25,;9.88,-29.71,;8.53,-28.95,)|
Structure:
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