Reaction Details Report a problem with these data
Target
Type-2 angiotensin II receptor
Ligand
BDBM410295
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
IC50
1.80±n/a nM
Citation
 McCarthy, TD; Naylor, A Heterocyclic compounds and methods of their use US Patent  US10370388 Publication Date 8/6/2019 
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:
BDBM410295
Synonyms:
US10370388, Compound Angiotensin
Type:
Small organic molecule
Emp. Form.:
C49H70N14O11
Mol. Mass.:
1031.1673
SMILES:
CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(O)=O |(19.82,-14.34,;18.81,-13.18,;17.3,-13.47,;19.31,-11.72,;20.83,-11.43,;21.83,-12.6,;21.33,-14.05,;23.35,-12.31,;24.35,-13.47,;25.87,-13.18,;26.87,-14.34,;28.39,-14.05,;29.4,-15.22,;30.91,-14.93,;28.89,-16.67,;23.85,-10.85,;25.36,-10.56,;26.37,-11.72,;25.87,-9.11,;24.86,-7.94,;27.38,-8.81,;27.88,-7.36,;26.87,-6.2,;29.4,-7.07,;18.31,-10.56,;18.81,-9.11,;16.79,-10.85,;15.79,-9.69,;16.29,-8.23,;15.28,-7.07,;13.77,-7.36,;12.76,-6.2,;13.26,-4.74,;12.26,-3.58,;14.78,-4.45,;15.79,-5.61,;14.27,-9.98,;13.77,-11.43,;13.26,-8.81,;11.75,-9.11,;11.25,-10.56,;9.74,-10.85,;12.26,-11.72,;10.74,-7.94,;11.25,-6.49,;9.23,-8.23,;8.22,-7.07,;8.73,-5.61,;7.72,-4.45,;6.19,-4.58,;5.59,-3.16,;6.75,-2.15,;8.07,-2.95,;6.71,-7.36,;5.7,-6.2,;6.21,-8.81,;7.09,-10.08,;6.16,-11.31,;4.7,-10.8,;4.73,-9.26,;3.51,-8.33,;3.7,-6.8,;2.09,-8.93,;.86,-8,;-.56,-8.6,;-1.79,-7.67,;-3.21,-8.27,;-4.43,-7.34,;-4.24,-5.81,;-2.83,-5.22,;-1.6,-6.14,;1.05,-6.47,;2.47,-5.88,;-.18,-5.55,)|
Structure:
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