Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50580361
Substrate
n/a
Meas. Tech.
ChEMBL_2148143 (CHEMBL5032541)
Kd
0.490000±n/a nM
Citation
 Liang, Q; He, J; Zhao, X; Xue, Y; Zuo, H; Xu, R; Jin, Y; Wang, J; Li, Q; Zhao, X Selective Discovery of GPCR Ligands within DNA-Encoded Chemical Libraries Derived from Natural Products: A Case Study on Antagonists of Angiotensin II Type I Receptor. J Med Chem 64:4196-4205 (2021) [PubMed]  Article 
Target
Name:
Type-1 angiotensin II receptor
Synonyms:
AGTR1 | AGTR1A | AGTR1B | AGTR1_HUMAN | AT1 | AT1AR | AT1BR | AT2R1 | AT2R1B | Angiotensin II AT1 | Angiotensin II receptor | Angiotensin II type 1b (AT-1b) receptor | Type-1 angiotensin II receptor (AT1)
Type:
Protein
Mol. Mass.:
41080.75
Organism:
Homo sapiens (Human)
Description:
P30556
Residue:
359
Sequence:
MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
  
Inhibitor
Name:
BDBM50580361
Synonyms:
CHEMBL5075338
Type:
Small organic molecule
Emp. Form.:
C32H40FN3O7
Mol. Mass.:
597.6743
SMILES:
CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](C)NC(=O)\C=C\c1ccc(O)c(O)c1 |r|
Structure:
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