Target
Vasopressin V1a/V1b receptor
Ligand
BDBM50013640
Substrate
n/a
Meas. Tech.
ChEMBL_214384 (CHEMBL821115)
Ki
1000±n/a nM
Citation
 Freidinger, RMWilliams, PDTung, RDBock, MGPettibone, DJClineschmidt, BVDiPardo, RMErb, JMGarsky, VMGould, NP Cyclic hexapeptide oxytocin antagonists. Potency-, selectivity-, and solubility-enhancing modifications. J Med Chem 33:1843-5 (1990) [PubMed]  Article 
Target
Name:
Vasopressin V1a/V1b receptor
Synonyms:
Vasopressin V1 receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 214265
Components:
This complex has 2 components.
Component 1
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:
MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAVIFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGPDWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFILSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGFICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTFVIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGHLLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFIPVST
  
Component 2
Name:
Vasopressin V1b receptor
Synonyms:
Avpr1b | V1BR_RAT | VASOPRESSIN V1B | Vasopressin V1b receptor | Vasopressin receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47104.48
Organism:
RAT
Description:
VASOPRESSIN V1B AVPR1B RAT::P48974
Residue:
425
Sequence:
MNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLGRHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQGSGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREERRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGSKPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATMETSIF
  
Inhibitor
Name:
BDBM50013640
Synonyms:
18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-indol-3-ylmethyl)-16-methyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone | CHEMBL2372928
Type:
Small organic molecule
Emp. Form.:
C43H58N8O6
Mol. Mass.:
782.9706
SMILES:
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](CCCN)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O)[C@H](C)CC
Structure:
Search PDB for entries with ligand similarity: