Reaction Details Report a problem with these data
Target
Vasopressin V2 receptor
Ligand
BDBM50397213
Substrate
n/a
Meas. Tech.
ChEMBL_864210 (CHEMBL2175262)
Ki
7.6±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:
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:
BDBM50397213
Synonyms:
CHEMBL2172391
Type:
Small organic molecule
Emp. Form.:
C62H64N6O9S2
Mol. Mass.:
1101.336
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.65,-33.22,;38.86,-34.54,;39.62,-35.89,;41.16,-35.91,;41.94,-34.59,;38.82,-37.21,;39.57,-38.56,;38.78,-39.87,;37.26,-39.85,;36.57,-41.11,;37.34,-42.45,;36.56,-43.79,;37.33,-45.12,;38.86,-45.12,;39.64,-43.79,;38.88,-42.46,;39.65,-41.13,;41.19,-41.13,;40.04,-39.63,;38.31,-40.35,;39.62,-46.46,;40.95,-45.68,;40.95,-47.23,;38.86,-47.8,;37.32,-47.8,;36.55,-49.14,;35.01,-49.14,;34.25,-50.48,;32.71,-50.49,;31.93,-49.16,;31.94,-51.82,;32.7,-53.12,;34.24,-53.11,;35.22,-54.3,;34.89,-55.82,;33.49,-56.5,;33.47,-58.08,;32.14,-58.84,;34.8,-58.85,;34.8,-60.39,;36.13,-61.16,;37.46,-60.39,;38.79,-61.17,;40.13,-60.4,;40.13,-58.86,;41.46,-61.17,;41.45,-62.72,;42.78,-63.5,;44.12,-62.72,;44.12,-61.18,;42.78,-60.41,;42.8,-58.87,;44.13,-58.11,;44.13,-56.57,;42.8,-55.79,;41.45,-56.58,;41.46,-58.11,;37.48,-58.86,;36.15,-58.08,;32.1,-55.85,;30.99,-56.93,;29.5,-56.5,;29.12,-54.99,;30.24,-53.9,;31.73,-54.34,;34.93,-41.14,;34.16,-42.46,;32.63,-42.45,;31.88,-41.11,;32.65,-39.8,;34.18,-39.81,;34.96,-38.48,;36.51,-38.5,;37.29,-37.18,;30.34,-41.09,;29.58,-39.75,;28.04,-39.74,;29.55,-42.43,;28.01,-42.4,)|
Structure:
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