Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM288814
Substrate
n/a
Meas. Tech.
competition binding assay
Temperature
298.15±n/a K
Ki
1.000±n/a nM
Comments
extracted
Citation
 Dolente, C; Fasching, B; Runtz-Schmitt, V; Schnider, P Spiro-thiazolones US Patent  US10092551 Publication Date 10/9/2018 
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:
BDBM288814
Synonyms:
US10092551, Example 122
Type:
Small organic molecule
Emp. Form.:
C24H22N4O2S
Mol. Mass.:
430.522
SMILES:
O=C1N=C(SC1=C(c1ccc[nH]1)c1ccc[nH]1)N1CCC2(CC1)OCc1ccccc21 |c:2,(4.06,-2.69,;2.73,-1.92,;2.73,-.38,;1.26,.09,;.36,-1.15,;1.26,-2.4,;.87,-3.88,;-.62,-4.28,;-1.1,-5.75,;-2.64,-5.75,;-3.11,-4.28,;-1.87,-3.38,;1.96,-4.97,;1.48,-6.44,;2.73,-7.34,;3.97,-6.44,;3.5,-4.97,;.87,1.58,;1.96,2.67,;1.56,4.16,;.07,4.56,;-1.02,3.47,;-.62,1.98,;.97,5.8,;.07,7.05,;-1.4,6.57,;-2.73,7.34,;-4.06,6.57,;-4.06,5.03,;-2.73,4.26,;-1.4,5.03,)|
Structure:
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