Reaction Details Report a problem with these data
Target
Type-2 angiotensin II receptor
Ligand
BDBM50370576
Substrate
n/a
Meas. Tech.
ChEMBL_303241 (CHEMBL827206)
Ki
2.60±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:
BDBM50370576
Synonyms:
CHEMBL1791309
Type:
Small organic molecule
Emp. Form.:
C52H67N13O11
Mol. Mass.:
1050.1689
SMILES:
CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)|
Structure:
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