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Target
Oxytocin receptor
Ligand
BDBM50525080
Substrate
n/a
Meas. Tech.
ChEMBL_1895466 (CHEMBL4397501)
EC50
>10000±n/a nM
Citation
 Wi?niewski, K; Qi, S; Kraus, J; Ly, B; Srinivasan, K; Tariga, H; Croston, G; La, E; Wi?niewska, H; Ortiz, C; Laporte, R; Rivière, PJ; Neyer, G; Hargrove, DM; Schteingart, CD Discovery of Potent, Selective, and Short-Acting Peptidic V J Med Chem 62:4991-5005 (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:
BDBM50525080
Synonyms:
CHEMBL4521602
Type:
Small organic molecule
Emp. Form.:
C45H67N11O9S2
Mol. Mass.:
970.212
SMILES:
CCc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1 |r|
Structure:
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