Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50568054
Substrate
n/a
Meas. Tech.
ChEMBL_2104351 (CHEMBL4812854)
IC50
>10000±n/a nM
Citation
 Tourwé, D; Tsiailanis, AD; Parisis, N; Hirmiz, B; Del Borgo, M; Aguilar, MI; Van der Poorten, O; Ballet, S; Widdop, RE; Tzakos, AG Using conformational constraints at position 6 of Angiotensin II to generate compounds with enhanced AT2R selectivity and proteolytic stability. Bioorg Med Chem Lett 43:0 (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:
BDBM50568054
Synonyms:
CHEMBL4861538
Type:
Small organic molecule
Emp. Form.:
C49H65N11O9
Mol. Mass.:
952.1087
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@H]1Cc2c(CN(CC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C1=O)[nH]c1ccccc21 |r|
Structure:
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