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Target
Oxytocin receptor
Ligand
BDBM50029649
Substrate
n/a
Meas. Tech.
ChEMBL_149043 (CHEMBL762236)
Ki
4.8±n/a nM
Citation
 Bell, IM; Erb, JM; Freidinger, RM; Gallicchio, SN; Guare, JP; Guidotti, MT; Halpin, RA; Hobbs, DW; Homnick, CF; Kuo, MS; Lis, EV; Mathre, DJ; Michelson, SR; Pawluczyk, JM; Pettibone, DJ; Reiss, DR; Vickers, S; Williams, PD; Woyden, CJ Development of orally active oxytocin antagonists: studies on 1-(1-[4-[1-(2-methyl-1-oxidopyridin-3-ylmethyl)piperidin-4-yloxy]-2- methoxybenzoyl]piperidin-4-yl)-1,4-dihydrobenz[d][1,3]oxazin-2-one (L-372,662) and related pyridines. J Med Chem 41:2146-63 (1998) [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:
BDBM50029649
Synonyms:
1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one | 1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one | CHEMBL24781 | L-371257
Type:
Small organic molecule
Emp. Form.:
C28H33N3O6
Mol. Mass.:
507.5781
SMILES:
COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Structure:
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