Target
Vasopressin V1a receptor
Ligand
BDBM316365
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
1.000±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:
BDBM316365
Synonyms:
US9617226, Example 46 | cis-2-[2-(3-Chlorophenyl)-4-oxo-6-[3-(1-piperidylmethyl)cyclobutyl]quinazolin-3-yl]-N-[(1R)-2,2,2-trifluoro-1-methyl-ethyl]acetamide
Type:
Small organic molecule
Emp. Form.:
C29H32ClF3N4O2
Mol. Mass.:
561.038
SMILES:
C[C@@H](NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1)C(F)(F)F |wU:1.0,wD:17.18,19.21,(,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;11.22,-4.94,;12.56,-4.17,;12.56,-2.63,;13.89,-1.86,;15.22,-2.63,;15.22,-4.17,;13.89,-4.94,;8.4,-4.57,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-1.33,-.77,;2.67,-7.7,;4,-8.47,;3.44,-6.37,;1.9,-9.03,)|
Structure:
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