Reaction Details Report a problem with these data
Target
Type-2 angiotensin II receptor
Ligand
BDBM50568055
Substrate
n/a
Meas. Tech.
ChEMBL_2104352 (CHEMBL4812855)
IC50
70±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-2 angiotensin II receptor
Synonyms:
AGTR2 | AGTR2_HUMAN | AT2 | Angiotensin II receptor | Angiotensin II type 2 (AT-2) receptor | Angiotensin II, central | Type-2 angiotensin II receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41201.61
Organism:
Homo sapiens (Human)
Description:
Angiotensin II, central 0 0::P50052
Residue:
363
Sequence:
MKGNSTLATTSKNITSGLHFGLVNISGNNESTLNCSQKPSDKHLDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYIVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAWMGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRESMSCRKSSSLREMETFVS
  
Inhibitor
Name:
BDBM50568055
Synonyms:
CHEMBL4847398
Type:
Small organic molecule
Emp. Form.:
C57H78N12O12
Mol. Mass.:
1123.3024
SMILES:
CCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)CC)C1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Structure:
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