Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50114038
Substrate
n/a
Meas. Tech.
ChEMBL_214412 (CHEMBL820276)
Ki
4.5±n/a nM
Citation
 Kakefuda, A; Suzuki, T; Tobe, T; Tsukada, J; Tahara, A; Sakamoto, S; Tsukamoto, S Synthesis and pharmacological evaluation of 5-(4-biphenyl)-3-methyl-4-phenyl-1,2,4-triazole derivatives as a novel class of selective antagonists for the human vasopressin V(1A) receptor. J Med Chem 45:2589-98 (2002) [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:
BDBM50114038
Synonyms:
1-{7-[2-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-heptyl}-4-methyl-piperazine | CHEMBL87887
Type:
Small organic molecule
Emp. Form.:
C33H41N5O
Mol. Mass.:
523.7115
SMILES:
CN1CCN(CCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(27.36,-5.41,;26.31,-4.28,;24.82,-4.63,;23.77,-3.51,;24.24,-2.04,;22.84,-1.4,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;25.73,-1.68,;26.78,-2.81,)|
Structure:
Search PDB for entries with ligand similarity: