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Target
Vasopressin V1a receptor
Ligand
BDBM50077228
Substrate
n/a
Meas. Tech.
ChEMBL_1473358 (CHEMBL3419318)
Ki
5886±n/a nM
Citation
 Ratni, H; Rogers-Evans, M; Bissantz, C; Grundschober, C; Moreau, JL; Schuler, F; Fischer, H; Alvarez Sanchez, R; Schnider, P Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. J Med Chem 58:2275-89 (2015) [PubMed]  Article 
Target
Name:
Vasopressin V1a receptor
Synonyms:
AVPR V1a | Antidiuretic hormone receptor 1a | Avpr1a | V1AR_MOUSE | V1aR | Vascular/hepatic-type arginine vasopressin receptor | Vasopressin V1a receptor
Type:
PROTEIN
Mol. Mass.:
47202.75
Organism:
Mus musculus
Description:
ChEMBL_109593
Residue:
423
Sequence:
MSFPRGSHDLPAGNSSPWWPLTTEGANSSREAAGLGEGGSPPGDVRNEELAKLEVTVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASSYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAASWGLSFVLSIPQYFIFSVIEFEVNNGTKAQDCWATFIPPWGTRAYVTWMTSGVFVVPVIILGTCYGFICYHIWRNVRGKTASRQSKGGKGSGEAAGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWTPFFIVQMWSVWDTNFVWTDSENPSTTITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCQSIAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGTWKDSPKSSKSIRFIPVST
  
Inhibitor
Name:
BDBM50077228
Synonyms:
CHEMBL3416876
Type:
Small organic molecule
Emp. Form.:
C21H19ClN2O3S
Mol. Mass.:
414.905
SMILES:
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)c1ccccc1CS2(=O)=O
Structure:
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