Reaction Details Report a problem with these data
Target
Vasopressin V1b receptor
Ligand
BDBM50044777
Substrate
n/a
Meas. Tech.
ChEMBL_1890528 (CHEMBL4392282)
EC50
0.003500±n/a nM
Citation
Ichinose, W; Cherepanov, SM; Shabalova, AA; Yokoyama, S; Yuhi, T; Yamaguchi, H; Watanabe, A; Yamamoto, Y; Okamoto, H; Horike, S; Terakawa, J; Daikoku, T; Watanabe, M; Mano, N; Higashida, H; Shuto, S Development of a Highly Potent Analogue and a Long-Acting Analogue of Oxytocin for the Treatment of Social Impairment-Like Behaviors. J Med Chem 62:3297-3310 (2019) [PubMed] Article
More Info.:
Target
Name:
Vasopressin V1b receptor
Synonyms:
AVPR V1b | AVPR V3 | AVPR1B | AVPR3 | Antidiuretic hormone receptor 1b | V1BR_HUMAN | V1bR | VASOPRESSIN V1B | VPR3 | Vasopressin V1b receptor | Vasopressin V1b receptor (V1b) | Vasopressin V3 | Vasopressin V3 receptor
Type:
Enzyme
Mol. Mass.:
46985.01
Organism:
Homo sapiens (Human)
Description:
P47901
Residue:
424
Sequence:
MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
Inhibitor
Name:
BDBM50044777
Synonyms:
Arginine Vasopressin | Beta-Hypophamine | CHEBI:34543 | Leiormone | Pitressin | Vasophysin | Vasopressin
Type:
Small organic molecule
Emp. Form.:
C46H65N15O12S2
Mol. Mass.:
1084.232
SMILES:
N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O