Reaction Details Report a problem with these data
Target
Vasopressin V2 receptor
Ligand
BDBM50016752
Substrate
n/a
Meas. Tech.
ChEMBL_214852 (CHEMBL824694)
Ki
1.5±n/a nM
Citation
 Callahan, JF; Ashton-Shue, D; Bryan, HG; Bryan, WM; Heckman, GD; Kinter, LB; McDonald, JE; Moore, ML; Schmidt, DB; Silvestri, JS Structure-activity relationships of novel vasopressin antagonists containing C-terminal diaminoalkanes and (aminoalkyl)guanidines. J Med Chem 32:391-6 (1989) [PubMed]  Article 
Target
Name:
Vasopressin V2 receptor
Synonyms:
ADHR | AVPR V2 | AVPR2 | Antidiuretic hormone receptor | DIR | DIR3 | Renal-type arginine vasopressin receptor | V2R | V2R_HUMAN | VASOPRESSIN V2 | Vasopressin V2 receptor | Vasopressin receptor
Type:
Receptor
Mol. Mass.:
40295.28
Organism:
Homo sapiens (Human)
Description:
P30518
Residue:
371
Sequence:
MLMASTTSAVPGHPSLPSLPSNSSQERPLDTRDPLLARAELALLSIVFVAVALSNGLVLAALARRGRRGHWAPIHVFIGHLCLADLAVALFQVLPQLAWKATDRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGSGAHWNRPVLVAWAFSLLLSLPQLFIFAQRNVEGGSGVTDCWACFAEPWGRRTYVTWIALMVFVAPTLGIAACQVLIFREIHASLVPGPSERPGGRRRGRRTGSPGEGAHVSAAVAKTVRMTLVIVVVYVLCWAPFFLVQLWAAWDPEAPLEGAPFVLLMLLASLNSCTNPWIYASFSSSVSSELRSLLCCARGRTPPSLGPQDESCTTASSSLAKDTSS
  
Inhibitor
Name:
BDBM50016752
Synonyms:
CHEMBL339943 | N*1*-[1-(1-Carbamoyl-4-guanidino-butylcarbamoyl)-2-mercapto-ethyl]-2-[2-(2-{3-(4-ethoxy-phenyl)-2-[2-(1-mercapto-cyclohexyl)-acetylamino]-propionylamino}-3-phenyl-propionylamino)-3-methyl-butyrylamino]-succinamide
Type:
Small organic molecule
Emp. Form.:
C47H69N11O9S2
Mol. Mass.:
996.249
SMILES:
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
Structure:
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