Reaction Details Report a problem with these data
Target
Vasopressin V2 receptor
Ligand
BDBM50077136
Substrate
n/a
Meas. Tech.
ChEMBL_1474010 (CHEMBL3419770)
Kd
135±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:
BDBM50077136
Synonyms:
CHEMBL3416749
Type:
Small organic molecule
Emp. Form.:
C54H48ClN7O12S
Mol. Mass.:
1054.517
SMILES:
OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCCCCCC(=O)NCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |(2.68,2.06,;2.67,3.09,;3.74,3.7,;1.34,3.85,;1.34,5.39,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-0,7.7,;1.06,8.32,;-1.34,8.47,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-4.02,13.09,;-4.02,14.63,;-5.36,15.39,;-6.42,14.78,;-5.36,16.93,;-6.7,17.7,;-6.7,19.24,;-8.04,20.01,;-8.04,21.55,;-6.98,22.17,;-9.38,22.32,;-9.38,23.86,;-10.72,24.63,;-10.73,26.17,;-12.06,26.93,;-13.39,26.16,;-13.39,24.62,;-12.05,23.85,;-14.73,26.92,;-14.74,28.15,;-15.8,27.53,;-16.06,26.15,;-17.4,26.91,;-18.73,26.14,;-18.73,24.9,;-20.07,26.9,;-21.4,26.12,;-22.74,26.89,;-22.89,28.41,;-21.97,29.23,;-24.37,28.72,;-25.14,27.4,;-26.66,27.09,;-27.14,25.61,;-26.11,24.47,;-24.58,24.78,;-24.12,26.25,;-16.06,24.6,;-14.72,23.84,;-14.72,22.3,;-16.05,21.52,;-16.05,20.29,;-17.39,22.29,;-17.39,23.83,)|
Structure:
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