Reaction Details Report a problem with these data
Target
Type-2 angiotensin II receptor
Ligand
BDBM50370575
Substrate
n/a
Meas. Tech.
ChEMBL_303241 (CHEMBL827206)
Ki
0.3±n/a nM
Citation
 Rosenström, U; Sköld, C; Plouffe, B; Beaudry, H; Lindeberg, G; Botros, M; Nyberg, F; Wolf, G; Karlén, A; Gallo-Payet, N; Hallberg, A New selective AT2 receptor ligands encompassing a gamma-turn mimetic replacing the amino acid residues 4-5 of angiotensin II act as agonists. J Med Chem 48:4009-24 (2005) [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:
BDBM50370575
Synonyms:
CHEMBL1791308
Type:
Small organic molecule
Emp. Form.:
C57H76N14O12
Mol. Mass.:
1149.2999
SMILES:
CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
Structure:
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