Reaction Details Report a problem with these data
Target
Type-1/Type-2 angiotensin II receptor
Ligand
BDBM50229420
Substrate
n/a
Meas. Tech.
ChEMBL_28432 (CHEMBL643135)
IC50
0.450000±n/a nM
Citation
 Mohan, R; Chou, YL; Bihovsky, R; Lumma, WC; Erhardt, PW; Shaw, KJ Synthesis and biological activity of angiotensin II analogues containing a Val-His replacement, Val psi[CH(CONH2)NH]His. J Med Chem 34:2402-10 (1991) [PubMed]  Article 
Target
Name:
Type-1/Type-2 angiotensin II receptor
Synonyms:
Angiotensin II receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 357784
Components:
This complex has 2 components.
Component 1
Name:
Type-1 angiotensin II receptor
Synonyms:
AGTR1 | AGTR1A | AGTR1B | AGTR1_HUMAN | AT1 | AT1AR | AT1BR | AT2R1 | AT2R1B | Angiotensin II AT1 | Angiotensin II receptor | Angiotensin II type 1b (AT-1b) receptor | Type-1 angiotensin II receptor (AT1)
Type:
Protein
Mol. Mass.:
41080.75
Organism:
Homo sapiens (Human)
Description:
P30556
Residue:
359
Sequence:
MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
  
Component 2
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:
BDBM50229420
Synonyms:
CHEMBL77838
Type:
Small organic molecule
Emp. Form.:
C45H71N13O10
Mol. Mass.:
954.1263
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(O)=O |wU:41.44,4.4,15.16,29.31,45.48,2.2,wD:8.7,25.27,(17.19,-2.97,;16.94,-4.18,;15.47,-4.65,;14.56,-3.83,;15.15,-6.16,;13.68,-6.63,;13.36,-8.14,;14.27,-8.97,;11.9,-8.62,;11.41,-10.08,;9.87,-10.07,;9.4,-8.6,;10.66,-7.73,;10.66,-6.19,;11.73,-5.57,;9.33,-5.41,;9.34,-3.87,;10.67,-3.1,;10.82,-1.58,;12.33,-1.27,;13.09,-2.61,;12.06,-3.74,;8,-6.18,;6.66,-5.4,;6.66,-4.38,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.4,1.39,;-1.33,-.77,;,-1.54,;1.33,-3.85,;1.33,-5.39,;2.4,-6.01,;-.01,-6.16,;-.01,-7.7,;-1.34,-8.47,;-2.41,-7.86,;-1.34,-10.02,;-2.68,-10.79,;-2.68,-12.33,;-4.01,-13.1,;-4.01,-14.64,;-5.34,-15.41,;-5.35,-16.64,;-6.41,-14.8,;-0,-10.78,;1.33,-10.01,;1.33,-8.78,;2.67,-10.78,;4,-10.01,;4.89,-10.52,;-1.34,-5.4,;-1.34,-4.17,;-2.41,-6.01,;5.32,-7.71,;6.38,-8.33,;4.25,-8.32,;16.29,-7.2,;17.46,-6.82,;16.03,-8.4,)|
Structure:
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