Reaction Details Report a problem with these data
Target
Vasopressin V1a receptor
Ligand
BDBM50202903
Substrate
n/a
Meas. Tech.
ChEMBL_441650 (CHEMBL891881)
Ki
5.58±n/a nM
Citation
 Guillon, CD; Koppel, GA; Brownstein, MJ; Chaney, MO; Ferris, CF; Lu, SF; Fabio, KM; Miller, MJ; Heindel, ND; Hunden, DC; Cooper, RD; Kaldor, SW; Skelton, JJ; Dressman, BA; Clay, MP; Steinberg, MI; Bruns, RF; Simon, NG Azetidinones as vasopressin V1a antagonists. Bioorg Med Chem 15:2054-80 (2007) [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:
BDBM50202903
Synonyms:
4-amino-1-benzyl-1-[(3R)-3-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-3-({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)propanoyl]piperidin-1-ium | CHEMBL389360
Type:
Small organic molecule
Emp. Form.:
C44H45F3N5O5
Mol. Mass.:
780.8533
SMILES:
NC1CC[N+](Cc2ccccc2)(CC1)C(=O)C[C@@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |wU:19.21,28.31,30.38,wD:17.19,(30.85,-34.72,;31.11,-36.24,;32.55,-36.77,;32.82,-38.28,;31.63,-39.25,;32.81,-40.25,;34.26,-39.73,;35.43,-40.72,;36.86,-40.21,;37.14,-38.7,;35.96,-37.71,;34.53,-38.23,;30.2,-38.74,;29.93,-37.22,;30.86,-40.6,;31.63,-41.93,;29.32,-40.6,;28.55,-41.93,;27,-41.93,;25.91,-40.85,;25.91,-39.3,;27.24,-38.54,;27.24,-36.99,;28.57,-36.23,;28.57,-34.68,;27.24,-33.91,;25.9,-34.68,;25.9,-36.23,;24.83,-41.93,;23.28,-41.93,;22.37,-43.18,;20.91,-42.7,;20.91,-41.17,;22.37,-40.69,;22.85,-39.22,;22.85,-44.65,;21.81,-45.79,;22.29,-47.26,;23.79,-47.58,;24.83,-46.43,;24.36,-44.97,;25.91,-43.03,;25.91,-44.57,;29.32,-43.26,;28.55,-44.59,;30.86,-43.26,;31.63,-44.6,;33.18,-44.6,;33.95,-43.27,;35.49,-43.27,;36.26,-44.6,;35.49,-45.94,;33.95,-45.94,;36.26,-47.27,;37.59,-46.5,;34.92,-48.05,;37.03,-48.61,)|
Structure:
Search PDB for entries with ligand similarity: