Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50397216
Substrate
n/a
Meas. Tech.
ChEMBL_864198 (CHEMBL2175250)
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:
Vasopressin V1b receptor
Synonyms:
AVPR V1b | AVPR V3 | AVPR1B | AVPR3 | Antidiuretic hormone receptor 1b | V1BR_HUMAN | V1bR | VASOPRESSIN V1B | VPR3 | Vasopressin V1b receptor | Vasopressin V1b receptor (V1b) | Vasopressin V3 | Vasopressin V3 receptor
Type:
Enzyme
Mol. Mass.:
46985.01
Organism:
Homo sapiens (Human)
Description:
P47901
Residue:
424
Sequence:
MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
  
Inhibitor
Name:
BDBM50397216
Synonyms:
CHEMBL2172294
Type:
Small organic molecule
Emp. Form.:
C72H80N10O13S2
Mol. Mass.:
1357.595
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.09,-9.94,;32.43,-10.72,;32.42,-12.26,;31.09,-13.02,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.33,;36.41,-14.58,;37.73,-15.35,;37.72,-16.89,;39.04,-17.68,;39.02,-19.23,;37.68,-19.97,;36.36,-19.19,;36.38,-17.65,;35.06,-16.86,;33.95,-15.76,;35.82,-15.52,;33.71,-17.61,;32.39,-16.82,;31.04,-17.58,;29.72,-16.79,;28.38,-17.54,;27.05,-16.75,;25.71,-17.51,;24.38,-16.72,;23.04,-17.48,;21.71,-16.69,;20.36,-17.44,;19.04,-16.65,;17.7,-17.4,;16.23,-16.95,;15.34,-18.21,;13.8,-18.23,;13.02,-16.9,;11.48,-16.92,;10.72,-18.26,;10.69,-15.59,;9.15,-15.61,;8.37,-14.28,;9.13,-12.94,;6.83,-14.3,;5.95,-15.57,;6.71,-16.9,;6.12,-18.32,;4.63,-18.76,;3.38,-17.89,;2.03,-18.65,;.71,-17.87,;2.02,-20.19,;3.35,-20.98,;3.33,-22.52,;2,-23.26,;1.98,-24.81,;3.31,-25.58,;4.65,-24.83,;3.3,-27.13,;1.95,-27.9,;1.95,-29.44,;3.28,-30.21,;4.61,-29.44,;4.62,-27.91,;5.97,-27.14,;7.3,-27.94,;8.65,-27.18,;8.67,-25.62,;7.32,-24.83,;5.98,-25.6,;.66,-22.49,;.68,-20.96,;3.28,-16.35,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.43,-15.31,;16.27,-19.44,;17.72,-18.95,;37.66,-21.51,;36.32,-22.25,;38.98,-20.73,;38.98,-22.27,;39.07,-14.59,;40.38,-15.37,;41.71,-14.62,;41.73,-13.08,;40.41,-12.3,;39.09,-13.06,;37.75,-12.27,;36.41,-13.04,;35.09,-12.27,;43.07,-12.31,;44.39,-13.1,;45.74,-12.33,;43.08,-10.77,;44.41,-10.02,)|
Structure:
Search PDB for entries with ligand similarity: