Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM86209
Substrate
n/a
Ki
27±n/a nM
Comments
PDSP_6851
Citation
 Cirillo, R; Gillio Tos, E; Schwarz, MK; Quattropani, A; Scheer, A; Missotten, M; Dorbais, J; Nichols, A; Borrelli, F; Giachetti, C; Golzio, L; Marinelli, P; Thomas, RJ; Chevillard, C; Laurent, F; Portet, K; Barberis, C; Chollet, A Pharmacology of (2S,4Z)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(methoxyimino) -1-[(2'-methyl[1,1'-biphenyl]-4-yl)carbonyl]-2-pyrrolidinecarboxamide, a new potent and selective nonpeptide antagonist of the oxytocin receptor. J Pharmacol Exp Ther 306:253-61 (2003) [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:
BDBM86209
Synonyms:
Atosiban | CAS_90779-69-4 | NSC_0
Type:
Small organic molecule
Emp. Form.:
C43H67N11O12S2
Mol. Mass.:
994.189
SMILES:
CCOc1ccc(CC2NC(=O)CCSSCC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)O)C(=O)N2CCCC2C(=O)NC(CCCN)C(=O)NCC(N)=O)cc1
Structure:
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