Target
Oxytocin receptor
Ligand
BDBM50001302
Substrate
n/a
Meas. Tech.
ChEBML_149178
IC50
3400±n/a nM
Citation
 Williams, PDBock, MGTung, RDGarsky, VMPerlow, DSErb, JMLundell, GFGould, NPWhitter, WLHoffman, JB Development of a novel class of cyclic hexapeptide oxytocin antagonists based on a natural product. J Med Chem 35:3905-18 (1992) [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:
BDBM50001302
Synonyms:
14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | CHEMBL52813
Type:
Small organic molecule
Emp. Form.:
C40H52N6O6
Mol. Mass.:
712.8775
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Structure:
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