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Target
Vasopressin V1a receptor
Ligand
BDBM316329
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
5.5±n/a nM
Citation
 Braje, W; Froggett, J; Geneste, H; Hornberger, W; Jantos, K; Kling, A; van 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:
BDBM316329
Synonyms:
US9617226, Example 10 | cis-2-[2-(3-Chlorophenyl)-6-[3-[(4-methoxy-1-piperidyl)methyl]cyclobutyl]-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide
Type:
Small organic molecule
Emp. Form.:
C30H37ClN4O3
Mol. Mass.:
537.093
SMILES:
COC1CCN(C[C@H]2C[C@H](C2)c2ccc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)CC1 |r,wD:9.11,7.6,(12.56,-11.87,;11.22,-11.1,;11.22,-9.56,;12.56,-8.79,;12.56,-7.25,;11.22,-6.48,;11.22,-4.94,;9.89,-4.17,;9.49,-2.68,;8,-3.08,;8.4,-4.57,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,1.54,;1.33,-2.31,;,-3.08,;,-4.62,;1.33,-5.39,;-1.33,-5.39,;-1.33,-6.93,;,-7.7,;-2.67,-7.7,;2.67,-3.08,;2.67,-4.62,;4,-2.31,;5.33,-3.08,;9.89,-7.25,;9.89,-8.79,)|
Structure:
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