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Target
Vasopressin V1a/V1b receptor
Ligand
BDBM50001302
Substrate
n/a
Meas. Tech.
ChEMBL_214384 (CHEMBL821115)
Ki
9300±n/a nM
Citation
 Freidinger, RM; Williams, PD; Tung, RD; Bock, MG; Pettibone, DJ; Clineschmidt, BV; DiPardo, RM; Erb, JM; Garsky, VM; Gould, 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:
BDBM50001302
Synonyms:
14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | 14,22-dibenzyl-23-methyl-11-[1-methyl-(1S)-propyl]-(5aR,11S,14R,16aS,22R,24aS)-perhydrotripyrrolo[1,2-a:1,2-d:1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-5,10,13,16,21,24-hexaone | CHEMBL52813
Type:
Small organic molecule
Emp. Form.:
C40H52N6O6
Mol. Mass.:
712.8775
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
Structure:
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