Target
Oxytocin receptor
Ligand
BDBM50410633
Substrate
n/a
Meas. Tech.
ChEMBL_326537 (CHEMBL863355)
Ki
109±n/a nM
Citation
 Quattropani, ADorbais, JCovini, DPittet, PAColovray, VThomas, RJCoxhead, RHalazy, SScheer, AMissotten, MAyala, GBradshaw, CDe Raemy-Schenk, AMNichols, ACirillo, RTos, EGGiachetti, CGolzio, LMarinelli, PChurch, DJBarberis, CChollet, ASchwarz, MK Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. J Med Chem 48:7882-905 (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:
BDBM50410633
Synonyms:
CHEMBL2113195
Type:
Small organic molecule
Emp. Form.:
C29H30ClN5O7S
Mol. Mass.:
628.096
SMILES:
COC(=O)c1cccc2\C(=N\NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccc(OCCCN(C)C)cc3)C(=O)Nc12
Structure:
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