Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50205990
Substrate
n/a
Meas. Tech.
ChEMBL_1711191 (CHEMBL4121240)
Ki
1.2±n/a nM
Citation
Beard, R; Stucki, A; Schmitt, M; Py, G; Grundschober, C; Gee, AD; Tate, EW Building bridges for highly selective, potent and stable oxytocin and vasopressin analogs. Bioorg Med Chem 26:3039-3045 (2018) [PubMed] Article
More Info.:
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:
BDBM50205990
Synonyms:
CHEMBL395429 | OXYTOCIN
Type:
Small organic molecule
Emp. Form.:
C43H66N12O12S2
Mol. Mass.:
1007.187
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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 |r|