Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50583877
Substrate
n/a
Meas. Tech.
ChEMBL_2158237 (CHEMBL5042987)
Ki
0.300000±n/a nM
Citation
 Szeleczky, Z; Szakács, Z; Bozó, É; Baska, F; Vukics, K; Lévai, S; Temesvári, K; Vass, E; Béni, Z; Krámos, B; Magdó, I; Szántay, C; Kóti, J; Domány-Kovács, K; Greiner, I; Bata, I Synthesis and Characterization of New V J Med Chem 64:10445-10468 (2021) [PubMed]  Article 
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:
BDBM50583877
Synonyms:
CHEMBL5070261
Type:
Small organic molecule
Emp. Form.:
C22H23ClN4O2
Mol. Mass.:
410.897
SMILES:
OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
Structure:
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