Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50166220
Substrate
n/a
Meas. Tech.
ChEMBL_302930 (CHEMBL830389)
Ki
148±n/a nM
Citation
 Ponthieux, S; Cabot, J; Mouillac, B; Seyer, R; Barberis, C; Carnazzi, E Design of benzophenone-containing photoactivatable linear vasopressin antagonists: pharmacological and photoreactive properties. J Med Chem 48:3379-88 (2005) [PubMed]  Article 
Target
Name:
Vasopressin V1a receptor
Synonyms:
AVPR V1a | AVPR1 | AVPR1A | Antidiuretic hormone receptor 1a | V1AR_HUMAN | V1aR | VASOPRESSIN V1A | Vascular/hepatic-type arginine vasopressin receptor | Vasopressin V1 receptor | Vasopressin V1a receptor | Vasopressin receptor
Type:
Receptor
Mol. Mass.:
46820.18
Organism:
Homo sapiens (Human)
Description:
P37288
Residue:
418
Sequence:
MRLSAGPDAGPSGNSSPWWPLATGAGNTSREAEALGEGNGPPRDVRNEELAKLEIAVLAVTFAVAVLGNSSVLLALHRTPRKTSRMHLFIRHLSLADLAVAFFQVLPQMCWDITYRFRGPDWLCRVVKHLQVFGMFASAYMLVVMTADRYIAVCHPLKTLQQPARRSRLMIAAAWVLSFVLSTPQYFVFSMIEVNNVTKARDCWATFIQPWGSRAYVTWMTGGIFVAPVVILGTCYGFICYNIWCNVRGKTASRQSKGAEQAGVAFQKGFLLAPCVSSVKSISRAKIRTVKMTFVIVTAYIVCWAPFFIIQMWSVWDPMSVWTESENPTITITALLGSLNSCCNPWIYMFFSGHLLQDCVQSFPCCQNMKEKFNKEDTDSMSRRQTFYSNNRSPTNSTGMWKDSPKSSKSIKFIPVST
  
Inhibitor
Name:
BDBM50166220
Synonyms:
(2S)-2-[(2S)-2-[(2S)-2-azaniumyl-3-(4-benzoylphenyl)propanamido]-3-phenylpropanamido]-N-[(1S)-2-carbamoyl-1-{[(2S)-1-[(2R)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]carbamoyl}ethyl]pentanediamide | Vasopressin Analogue
Type:
Small organic molecule
Emp. Form.:
C60H79IN17O12
Mol. Mass.:
1357.2799
SMILES:
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O
Structure:
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