Reaction Details  Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50044677
Substrate
n/a
Meas. Tech.
ChEMBL_1890525 (CHEMBL4392279)
EC50
0.010000±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:
BDBM50044677
Synonyms:
CHEBI:59204 | Carbetocin
Type:
Small organic molecule
Emp. Form.:
C45H69N11O12S
Mol. Mass.:
988.161
SMILES:
[H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Structure:
Search PDB for entries with ligand similarity: