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Target
Oxytocin receptor
Ligand
BDBM50001307
Substrate
n/a
Meas. Tech.
ChEMBL_149049 (CHEMBL761404)
Ki
21±n/a nM
Citation
 Williams, PD; Bock, MG; Tung, RD; Garsky, VM; Perlow, DS; Erb, JM; Lundell, GF; Gould, NP; Whitter, WL; Hoffman, 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 | 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:
BDBM50001307
Synonyms:
18-(3-Amino-propyl)-6,15-dibenzyl-3-sec-butyl-16-methyl-1,4,7,13,16,19,25-heptaaza-tricyclo[19.4.0.0*9,13*]pentacos-24-ene-2,5,8,14,17,20-hexaone | CHEMBL338308
Type:
Small organic molecule
Emp. Form.:
C40H54N8O6
Mol. Mass.:
742.9068
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](CCCN)NC(=O)[C@H]2CCC=NN2C1=O |c:52|
Structure:
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