Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetVasopressin V1a receptor
LigandBDBM50418928
Substrate/Competitorn/a
Meas. Tech.ChEMBL_758292 (CHEMBL1810823)
Ki 12.02±n/a nM
Citation Arbuckle, WBaker, JBarn, DBingham, MBrown, ABuchanan, KCraighead, MGoodwin, RGoutcher, SKiczun, MLyons, AMilne, RMontgomery, BNapier, SPresland, JSloan, HTurnbull, ZWishart, G Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. Bioorg Med Chem Lett21:4622-8 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Vasopressin V1a receptor
Name:Vasopressin V1a receptor
Synonyms:Avpr1a | V1AR_RAT | VASOPRESSIN V1A | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor
Type:Enzyme Catalytic Domain
Mol. Mass.:47674.81
Organism:RAT
Description:VASOPRESSIN V1A AVPR1A RAT::P30560
Residue:424
Sequence:
MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAV
IFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGP
DWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFI
LSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGF
ICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTF
VIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGH
LLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFI
PVST
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50418928
n/a
NameBDBM50418928
Synonyms:CHEMBL1807259
TypeSmall organic molecule
Emp. Form.C25H32Cl2N4O2
Mol. Mass.491.453
SMILESCN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: