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Target
Oxytocin receptor
Ligand
BDBM50397218
Substrate
n/a
Meas. Tech.
ChEMBL_864195 (CHEMBL2175247)
Ki
307±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:
BDBM50397218
Synonyms:
CHEMBL2172292
Type:
Small organic molecule
Emp. Form.:
C67H78N10O13S2
Mol. Mass.:
1295.525
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)|
Structure:
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