Reaction Details |
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Target | Vasopressin V1a/V1b receptor |
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Ligand | BDBM50043102 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_211079 |
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IC50 | 440±n/a nM |
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Citation | Evans, BE; Lundell, GF; Gilbert, KF; Bock, MG; Rittle, KE; Carroll, LA; Williams, PD; Pawluczyk, JM; Leighton, JL; Young, MB Nanomolar-affinity, non-peptide oxytocin receptor antagonists. J Med Chem36:3993-4005 (1994) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Vasopressin V1a/V1b receptor |
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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: | MSFPRGSQDRSVGNSSPWWPLTTEGSNGSQEAARLGEGDSPLGDVRNEELAKLEIAVLAV
IFVVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQLCWDITYRFRGP
DWLCRVVKHLQVFAMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIATSWVLSFI
LSTPQYFIFSVIEIEVNNGTKTQDCWATFIQPWGTRAYVTWMTSGVFVAPVVVLGTCYGF
ICYHIWRNIRGKTASSRHSKGDKGSGEAVGPFHKGLLVTPCVSSVKSISRAKIRTVKMTF
VIVSAYILCWAPFFIVQMWSVWDENFIWTDSENPSITITALLASLNSCCNPWIYMFFSGH
LLQDCVQSFPCCHSMAQKFAKDDSDSMSRRQTSYSNNRSPTNSTGMWKDSPKSSKSIRFI
PVST
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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: | MNSEPSWTATPSPGGTLPVPNATTPWLGRDEELAKVEIGILATVLVLATGGNLAVLLTLG
RHGHKRSRMHLFVLHLALTDLGVALFQVLPQLLWDITYRFQGSDLLCRAVKYLQVLSMFA
STYMLLAMTLDRYLAVCHPLRSLRQPSQSTYPLIAAPWLLAAILSLPQVFIFSLREVIQG
SGVLDCWADFYFSWGPRAYITWTTMAIFVLPVAVLSACYGLICHEIYKNLKVKTQAGREE
RRGWRTWDKSSSSAVATAATRGLPSRVSSISTISRAKIRTVKMTFVIVLAYIACWAPFFS
VQMWSVWDENAPNEDSTNVAFTISMLLGNLSSCCNPWIYMGFNSRLLPRSLSHHACCTGS
KPQVHRQLSTSSLTSRRTTLLTHACGSPTLRLSLNLSLRAKPRPAGSLKDLEQVDGEATM
ETSIF
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BDBM50043102 |
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n/a |
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Name | BDBM50043102 |
Synonyms: | 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-aminomethylcarboxamido-4-methylsulfonylbutanamide | CHEMBL339498 |
Type | Small organic molecule |
Emp. Form. | C30H46N4O6S2 |
Mol. Mass. | 622.839 |
SMILES | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN |
Structure |
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