Reaction Details Report a problem with these data
Target
Vasopressin V2 receptor
Ligand
BDBM50016757
Substrate
n/a
Meas. Tech.
ChEBML_214867
Ki
4.4±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:
AVPR2 | V2R_PIG
Type:
PROTEIN
Mol. Mass.:
40556.17
Organism:
Sus scrofa
Description:
ChEMBL_214870
Residue:
370
Sequence:
MLRATTSAVPRALSWPAAPGNGSEREPLDDRDPLLARVELALLSTVFVAVALSNGLVLGALVRRGRRGRWAPMHVFIGHLCLADLAVALFQVLPQLAWDATYRFRGPDALCRAVKYLQMVGMYASSYMILAMTLDRHRAICRPMLAYRHGGGARWNRPVLVAWAFSLLLSLPQLFIFAQRDVGDGSGVLDCWASFAEPWGLRAYVTWIALMVFVAPALGIAACQVLIFREIHTSLVPGPAERAGGHRGGRRAGSPREGARVSAAMAKTARMTLVIVAVYVLCWAPFFLVQLWSVWDPKAPREGPPFVLLMLLASLNSCTNPWIYASFSSSISSELRSLLCCPRRRTPPSLRPQEESCATASSFSARDTSS
  
Inhibitor
Name:
BDBM50016757
Synonyms:
1-[20-Benzyl-14-carbamoylmethyl-23-(4-ethoxy-benzyl)-17-isopropyl-13,16,19,22,25-pentaoxo-7,9-dithia-12,15,18,21,24-pentaaza-spiro[5.20]hexacosane-11-carbonyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-4-guanidino-butyl)-amide | CHEMBL2370646
Type:
Small organic molecule
Emp. Form.:
C52H76N12O10S2
Mol. Mass.:
1093.364
SMILES:
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)cc1
Structure:
Search PDB for entries with ligand similarity: