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Target
Oxytocin receptor
Ligand
BDBM50152974
Substrate
n/a
Meas. Tech.
ChEMBL_609611 (CHEMBL1065226)
Ki
147±n/a nM
Citation
 Frantz, MC; Rodrigo, J; Boudier, L; Durroux, T; Mouillac, B; Hibert, M Subtlety of the structure-affinity and structure-efficacy relationships around a nonpeptide oxytocin receptor agonist. J Med Chem 53:1546-62 (2010) [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:
BDBM50152974
Synonyms:
(2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo[3,4-b]-[1,5]benzodiazepin-5(1H)-yl)carbonyl]benzyl}-2-[(4-methyl-1,4-diazepan-1-yl)carbonothioyl]pyrrolidine-1-carboxamide | (S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrrolidine-1-carboxylic acid 2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide | CHEMBL360648
Type:
Small organic molecule
Emp. Form.:
C32H40N8O2S
Mol. Mass.:
600.777
SMILES:
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Structure:
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