Reaction Details Report a problem with these data
Target
Type-2 angiotensin II receptor
Ligand
BDBM50155247
Substrate
n/a
Meas. Tech.
ChEMBL_1559751 (CHEMBL3779531)
IC50
0.080±n/a nM
Citation
 Waszkielewicz, AM; Gunia-Krzyzak, A; Powroznik, B; Sloczynska, K; Pekala, E; Walczak, M; Bednarski, M; Zeslawska, E; Nitek, W; Marona, H Design, physico-chemical properties and biological evaluation of some new N-[(phenoxy)alkyl]- and N-{2-[2-(phenoxy)ethoxy]ethyl}aminoalkanols as anticonvulsant agents. Bioorg Med Chem 24:1793-810 (2016) [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:
BDBM50155247
Synonyms:
CHEMBL385433
Type:
Small organic molecule
Emp. Form.:
C50H71N13O12
Mol. Mass.:
1046.1786
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:20.21,64.66,8.8,35.36,2.2,wD:60.63,4.4,47.47,24.25,(3.98,-9.71,;3.98,-8.48,;5.32,-7.71,;6.38,-8.33,;5.33,-6.17,;3.99,-5.4,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.34,-.77,;-1.34,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-3.86,;1.33,-5.4,;2.4,-6.01,;-.01,-6.17,;-.01,-7.71,;-1.34,-8.48,;-2.41,-7.86,;-1.34,-10.02,;-.01,-10.79,;-.01,-12.34,;1.32,-13.11,;1.32,-14.65,;2.65,-15.42,;2.65,-16.65,;3.72,-14.81,;-2.68,-10.79,;-2.68,-12.33,;-1.61,-12.95,;-4.01,-13.1,;-5.08,-12.49,;-4.01,-14.64,;-5.34,-15.42,;-6.41,-14.8,;-5.35,-16.65,;-1.34,-5.4,;-2.41,-6.02,;-1.34,-4.17,;6.66,-5.4,;6.67,-4.17,;8,-6.18,;9.33,-5.41,;10.67,-6.18,;10.67,-7.72,;11.91,-8.61,;11.43,-10.08,;9.89,-10.07,;9.42,-8.61,;9.34,-3.87,;8.28,-3.25,;10.68,-3.1,;12.06,-3.75,;13.1,-2.61,;12.34,-1.27,;10.83,-1.58,;9.68,-.56,;9.93,.65,;8.22,-1.04,;7.07,-.01,;5.61,-.49,;4.45,.53,;2.99,.06,;1.84,1.08,;2.16,2.59,;3.62,3.07,;4.77,2.04,;7.38,1.5,;8.55,1.88,;6.46,2.32,)|
Structure:
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