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Target
Oxytocin receptor
Ligand
BDBM50133258
Substrate
n/a
Meas. Tech.
ChEMBL_149204 (CHEMBL759543)
IC50
160±n/a nM
Citation
 Hruby, VJ Peptide science: exploring the use of chemical principles and interdisciplinary collaboration for understanding life processes. J Med Chem 46:4215-31 (2003) [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:
BDBM50133258
Synonyms:
CHEMBL2369135 | [D-Pen1,(2S,3R)-p-MeOTMT2,Glu4,Lys8]OT | [D-Pen1,(2S,3S)-p-MeOTMT2,Glu4,Lys8]OT
Type:
Small organic molecule
Emp. Form.:
C49H76N12O12S2
Mol. Mass.:
1089.331
SMILES:
[H][C@]12CCCN1C(=O)[C@]1([H])CSSC(C)(C)[C@@H](N)C(=O)N[C@]([H])([C@H](C)c3c(C)cc(OC)cc3C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@]([H])(CCC(=O)NCCCC[C@@H](NC2=O)C(=O)NCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
Structure:
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