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Target
Oxytocin receptor
Ligand
BDBM50397215
Substrate
n/a
Meas. Tech.
ChEMBL_864195 (CHEMBL2175247)
Ki
>10000±n/a nM
Citation
 Loison, S; Cottet, M; Orcel, H; Adihou, H; Rahmeh, R; Lamarque, L; Trinquet, E; Kellenberger, E; Hibert, M; Durroux, T; Mouillac, B; Bonnet, D Selective fluorescent nonpeptidic antagonists for vasopressin V2 GPCR: application to ligand screening and oligomerization assays. J Med Chem 55:8588-602 (2012) [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:
BDBM50397215
Synonyms:
CHEMBL2172295
Type:
Small organic molecule
Emp. Form.:
C72H80N10O13S2
Mol. Mass.:
1357.595
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC |(48.6,-20.67,;47.27,-21.45,;45.93,-20.68,;45.92,-19.14,;47.25,-18.37,;44.59,-21.45,;43.26,-20.69,;41.94,-21.46,;41.94,-22.99,;40.61,-23.75,;39.29,-22.97,;39.3,-21.42,;37.98,-20.64,;36.65,-21.39,;36.62,-22.93,;37.94,-23.72,;37.92,-25.26,;36.57,-26.02,;39.4,-24.87,;38.67,-26.59,;35.32,-20.6,;36.08,-19.26,;34.22,-19.5,;33.98,-21.36,;32.65,-20.58,;31.31,-21.33,;29.99,-20.54,;28.64,-21.29,;27.31,-20.5,;25.97,-21.25,;24.65,-20.47,;23.3,-21.22,;21.97,-20.44,;20.63,-21.19,;19.3,-20.4,;18,-21.14,;16.52,-20.66,;15.61,-21.92,;14.07,-21.9,;13.31,-20.56,;11.77,-20.54,;10.99,-21.87,;11.01,-19.19,;9.47,-19.18,;8.72,-17.84,;9.5,-16.52,;7.18,-17.83,;6.27,-19.07,;6.99,-20.43,;6.39,-21.83,;4.89,-22.24,;3.64,-21.35,;2.28,-22.08,;.97,-21.27,;2.24,-23.62,;.88,-24.35,;.83,-25.89,;2.16,-26.69,;2.11,-28.24,;3.43,-29.04,;4.78,-28.31,;3.38,-30.58,;2.01,-31.32,;1.97,-32.86,;3.29,-33.66,;4.65,-32.92,;4.69,-31.38,;6.04,-30.65,;7.35,-31.45,;8.7,-30.73,;8.75,-29.19,;7.42,-28.37,;6.07,-29.11,;3.51,-25.97,;3.55,-24.44,;3.58,-19.81,;2.12,-19.32,;1.81,-17.8,;2.98,-16.77,;4.45,-17.27,;4.75,-18.79,;16.53,-23.17,;18,-22.69,;40.62,-25.3,;39.29,-26.05,;39.27,-27.58,;40.61,-28.36,;41.93,-27.6,;41.94,-26.07,;43.27,-25.3,;43.27,-23.76,;44.6,-22.99,;40.61,-29.9,;41.94,-30.67,;41.94,-32.21,;39.26,-30.67,;39.26,-32.21,)|
Structure:
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