Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50043093
Substrate
n/a
Meas. Tech.
ChEBML_145031
IC50
12±n/a nM
Citation
 Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Nanomolar-affinity, non-peptide oxytocin receptor antagonists. J Med Chem 36:3993-4005 (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:
BDBM50043093
Synonyms:
3-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-1-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione | CHEMBL341049
Type:
Small organic molecule
Emp. Form.:
C30H39N5O4S
Mol. Mass.:
565.727
SMILES:
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2cnc[nH]2)c1=O |TLB:27:25:1:5.4|
Structure:
Search PDB for entries with ligand similarity: