Target
Vasopressin V1a receptor
Ligand
BDBM316360
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:
BDBM316360
Synonyms:
US9617226, Example 41 | cis-2-[2-(3-Chlorophenyl)-6-[3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutyl]-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide
Type:
Small organic molecule
Emp. Form.:
C31H37ClN4O3
Mol. Mass.:
549.103
SMILES:
CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC3(C2)CCOCC3)C1)-c1cccc(Cl)c1 |r,wD:18.19,20.22,(3.74,-2.34,;2.97,-3.67,;3.74,-5.01,;1.43,-3.67,;.66,-2.34,;1.43,-1.01,;-.88,-2.34,;-1.65,-1.01,;-3.19,-1.01,;-3.96,.33,;-3.19,1.66,;-3.96,3,;-3.19,4.33,;-1.65,4.33,;-.88,3,;-1.65,1.66,;-.88,.33,;.66,.33,;-.88,5.66,;-1.28,7.15,;.21,7.55,;.98,8.88,;2.52,8.88,;3.61,9.97,;4.7,8.88,;3.61,7.79,;5.47,10.22,;7.01,10.22,;7.78,8.88,;7.01,7.55,;5.47,7.55,;.61,6.06,;-3.96,-2.34,;-3.19,-3.67,;-3.96,-5.01,;-5.5,-5.01,;-6.27,-3.67,;-7.81,-3.67,;-5.5,-2.34,)|
Structure:
Search PDB for entries with ligand similarity: