Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50319782
Substrate
n/a
Meas. Tech.
ChEMBL_634856 (CHEMBL1120488)
Ki
0.6±n/a nM
Citation
 Crombie, AL; Antrilli, TM; Campbell, BA; Crandall, DL; Failli, AA; He, Y; Kern, JC; Moore, WJ; Nogle, LM; Trybulski, EJ Synthesis and evaluation of azabicyclo[3.2.1]octane derivatives as potent mixed vasopressin antagonists. Bioorg Med Chem Lett 20:3742-5 (2010) [PubMed]  Article 
Target
Name:
Vasopressin V1a receptor
Synonyms:
AVPR V1a | AVPR1 | AVPR1A | Antidiuretic hormone receptor 1a | V1AR_HUMAN | V1aR | VASOPRESSIN V1A | Vascular/hepatic-type arginine vasopressin receptor | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor
Type:
Receptor
Mol. Mass.:
46820.18
Organism:
Homo sapiens (Human)
Description:
P37288
Residue:
418
Sequence:
MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
  
Inhibitor
Name:
BDBM50319782
Synonyms:
(2-methoxy-2',6'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone | CHEMBL1083731
Type:
Small organic molecule
Emp. Form.:
C26H33NO2
Mol. Mass.:
391.5457
SMILES:
COc1cc(ccc1-c1c(C)cccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:23.24,20.22,(7.58,-29.96,;8.94,-30.72,;10.28,-29.93,;10.27,-28.4,;11.6,-27.62,;12.94,-28.38,;12.94,-29.92,;11.61,-30.69,;11.62,-32.23,;10.29,-33,;8.96,-32.23,;10.29,-34.55,;11.62,-35.32,;12.96,-34.54,;12.95,-32.99,;14.29,-32.21,;11.59,-26.08,;10.26,-25.31,;12.92,-25.3,;13.87,-26.51,;15.41,-26.52,;16.03,-27.93,;14.61,-24.55,;13.28,-23.79,;14.67,-23.14,;16.05,-23.83,;16.45,-22.33,;17.54,-23.42,;16.39,-25.33,)|
Structure:
Search PDB for entries with ligand similarity: