Reaction Details Report a problem with these data
Target
Vasopressin V2 receptor
Ligand
BDBM50077134
Substrate
n/a
Meas. Tech.
ChEMBL_1474010 (CHEMBL3419770)
Kd
>1000±n/a nM
Citation
 Karpenko, IA; Margathe, JF; Rodriguez, T; Pflimlin, E; Dupuis, E; Hibert, M; Durroux, T; Bonnet, D Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay. J Med Chem 58:2547-52 (2015) [PubMed]  Article 
Target
Name:
Vasopressin V2 receptor
Synonyms:
ADHR | AVPR V2 | AVPR2 | Antidiuretic hormone receptor | DIR | DIR3 | Renal-type arginine vasopressin receptor | V2R | V2R_HUMAN | VASOPRESSIN V2 | Vasopressin V2 receptor | Vasopressin receptor
Type:
Receptor
Mol. Mass.:
40295.28
Organism:
Homo sapiens (Human)
Description:
P30518
Residue:
371
Sequence:
MLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
  
Inhibitor
Name:
BDBM50077134
Synonyms:
CHEMBL3416751
Type:
Small organic molecule
Emp. Form.:
C55H56ClF4N7O15
Mol. Mass.:
1166.518
SMILES:
[O-]C(=O)C(F)(F)F.COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl |(1.33,2,;1.33,.77,;.27,.15,;2.67,,;3.74,.62,;3.74,-.62,;2.67,-1.23,;6.78,11.83,;7.64,10.94,;9.13,11.31,;10.2,10.2,;11.69,10.57,;12.12,12.04,;11.06,13.16,;9.56,12.79,;13.58,12.53,;14.83,11.64,;14.83,10.1,;16.17,9.34,;16.17,7.79,;17.51,7.03,;17.51,5.49,;18.85,4.72,;18.86,3.18,;20.19,2.41,;20.2,.87,;21.53,.1,;21.54,-1.44,;22.87,-2.21,;22.88,-3.75,;24.21,-4.51,;24.22,-6.06,;23.15,-6.67,;25.55,-6.82,;25.56,-8.36,;26.89,-9.13,;26.9,-10.67,;28.23,-11.44,;28.24,-12.98,;29.57,-13.75,;30.64,-13.13,;29.58,-15.29,;28.25,-16.06,;28.25,-17.6,;29.58,-18.37,;30.91,-17.6,;30.91,-16.06,;32.25,-18.36,;32.25,-19.39,;33.32,-17.75,;29.58,-19.91,;28.24,-20.68,;26.91,-19.91,;25.58,-20.68,;25.58,-22.22,;24.51,-22.84,;26.91,-22.99,;28.24,-22.22,;29.58,-22.99,;30.89,-22.22,;32.24,-22.99,;33.58,-22.22,;34.64,-22.84,;33.58,-20.68,;32.24,-19.91,;30.89,-20.68,;16.08,12.53,;15.6,13.99,;14.06,13.99,;13.15,15.24,;11.69,15.55,;12.05,17.05,;13.55,16.69,;11.26,18.36,;12,19.71,;13.54,19.74,;14.28,21.09,;13.49,22.41,;14.08,23.49,;11.95,22.38,;11.2,21.03,;9.97,21.01,)|
Structure:
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