Target
Vasopressin V1a receptor
Ligand
BDBM316340
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
5.5±n/a nM
Citation
 Braje, WFroggett, JGeneste, HHornberger, WJantos, KKling, Avan Gaalen, M Fused heterocyclic or carbocyclic compounds carrying a substituted cycloaliphatic radical and use thereof for treating vasopressin-related diseases US Patent  US9617226 Publication Date 4/11/2017 
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:
BDBM316340
Synonyms:
cis-2-[6-[3-(Azepan-1-ylmethyl)cyclobutyl]-2-(3-chlorophenyl)-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide | US9617226, Example 21
Type:
Small organic molecule
Emp. Form.:
C30H37ClN4O2
Mol. Mass.:
521.093
SMILES:
CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCCC2)C1)-c1cccc(Cl)c1 |r,wU:20.22,18.19,(8,4.62,;9.34,3.85,;10.67,4.62,;9.34,2.31,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;;-.4,1.49,;-1.89,1.09,;-3.22,1.86,;-4.55,1.09,;-4.44,-.45,;-5.57,-1.49,;-7.09,-1.26,;-7.86,.07,;-7.3,1.5,;-5.83,1.96,;-1.49,-.4,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;10.67,-3.08,;12,-2.31,;9.34,-2.31,)|
Structure:
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