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Target
Oxytocin receptor
Ligand
BDBM50044686
Substrate
n/a
Meas. Tech.
ChEMBL_1890526 (CHEMBL4392280)
Ki
1.1±n/a nM
Citation
 Ichinose, W; Cherepanov, SM; Shabalova, AA; Yokoyama, S; Yuhi, T; Yamaguchi, H; Watanabe, A; Yamamoto, Y; Okamoto, H; Horike, S; Terakawa, J; Daikoku, T; Watanabe, M; Mano, N; Higashida, H; Shuto, S Development of a Highly Potent Analogue and a Long-Acting Analogue of Oxytocin for the Treatment of Social Impairment-Like Behaviors. J Med Chem 62:3297-3310 (2019) [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:
BDBM50044686
Synonyms:
CHEMBL3354594
Type:
Small organic molecule
Emp. Form.:
C48H68FN11O12S
Mol. Mass.:
1042.183
SMILES:
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1)[C@@H](C)CC |r|
Structure:
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