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Target
Oxytocin receptor
Ligand
BDBM50407289
Substrate
n/a
Meas. Tech.
ChEMBL_149171 (CHEMBL760342)
IC50
2.8±n/a nM
Citation
 Williams, PD; Anderson, PS; Ball, RG; Bock, MG; Carroll, L; Chiu, SH; Clineschmidt, BV; Culberson, JC; Erb, JM; Evans, BE 1-((7,7-Dimethyl-2(S)-(2(S)-amino-4-(methylsulfonyl)butyramido)bicyclo [2.2.1]-heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperaz ine (L-368,899): an orally bioavailable, non-peptide oxytocin antagonist with potential utility for managing preterm labor. J Med Chem 37:565-71 (1994) [PubMed]  Article 
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXYR_RAT | Otr | Oxtr | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42889.28
Organism:
RAT
Description:
Oxytocin OXTR RAT::P70536
Residue:
388
Sequence:
MEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
  
Inhibitor
Name:
BDBM50407289
Synonyms:
CHEMBL2112901
Type:
Small organic molecule
Emp. Form.:
C28H46N4O7S2
Mol. Mass.:
614.817
SMILES:
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C2(C)C |TLB:23:22:38:18.19|
Structure:
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