Reaction Details  Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50228312
Substrate
n/a
Meas. Tech.
ChEMBL_36495 (CHEMBL652312)
IC50
13±n/a nM
Citation
 Spear, KL; Brown, MS; Reinhard, EJ; McMahon, EG; Olins, GM; Palomo, MA; Patton, DR Conformational restriction of angiotensin II: cyclic analogues having high potency. J Med Chem 33:1935-40 (1990) [PubMed]
Target
Name:
Type-1 angiotensin II receptor A/B
Synonyms:
Angiotensin II receptor (AT-1) type-1 | Type-1A/Type-1B angiotensin II receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 901964
Components:
This complex has 2 components.
Component 1
Name:
Type-1 angiotensin II receptor B
Synonyms:
AGTRB_RAT | AT3 | Agtr1 | Agtr1b | Angiotensin II AT1B | Angiotensin II receptor (AT-1) type-1 | Angiotensin II type 1b (AT-1b) receptor | At1b | Type-1B angiotensin II receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40929.44
Organism:
RAT
Description:
Angiotensin II AT1B 0 RAT::P29089
Residue:
359
Sequence:
MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
  
Component 2
Name:
Type-1 angiotensin II receptor A
Synonyms:
AGTRA_RAT | ANGIOTENSIN AT1 | Agtr1 | Agtr1a | Angiotensin II AT1 | Angiotensin II AT1A | Angiotensin II receptor (AT-1) type-1 | At1a | Type-1A angiotensin II receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40910.53
Organism:
RAT
Description:
ANGIOTENSIN AT1 AGTR1 RAT::P25095
Residue:
359
Sequence:
MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
  
Inhibitor
Name:
BDBM50228312
Synonyms:
CHEMBL405557
Type:
Small organic molecule
Emp. Form.:
C46H61N13O12S2
Mol. Mass.:
1052.186
SMILES:
N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:58.62,45.46,9.8,30.30,1.0,wD:20.19,26.43,62.65,(5.51,9.04,;6.57,8.43,;7.91,9.21,;7.91,10.75,;6.84,11.36,;8.97,11.36,;6.57,6.89,;7.64,6.28,;5.24,6.12,;5.24,4.58,;6.58,3.82,;7.91,4.59,;9.25,3.82,;10.58,4.59,;11.92,3.83,;12.99,4.45,;11.93,2.6,;3.91,3.81,;2.84,4.42,;3.91,2.27,;2.58,1.49,;1.48,2.58,;,2.98,;-1.49,2.58,;-2.58,1.49,;-2.98,,;-2.58,-1.48,;-1.49,-2.58,;,-2.97,;,-4.21,;1.48,-2.58,;2.26,-3.92,;1.48,-5.25,;2.25,-6.59,;1.48,-7.92,;-.06,-7.91,;-.68,-8.98,;-.83,-6.57,;-.06,-5.24,;2.58,-1.48,;2.97,,;4.21,,;-3.92,-2.26,;-4.99,-1.65,;-3.91,-3.8,;-5.25,-4.58,;-5.24,-6.12,;-3.91,-6.89,;-3.76,-8.41,;-2.26,-8.72,;-1.49,-7.39,;-2.52,-6.25,;-6.58,-3.81,;-6.59,-2.58,;-7.91,-4.59,;-8.05,-6.1,;-9.55,-6.43,;-10.33,-5.1,;-9.3,-3.96,;-9.62,-2.45,;-10.79,-2.06,;-8.47,-1.42,;-8.78,.09,;-7.63,1.11,;-7.94,2.62,;-6.8,3.65,;-7.11,5.15,;-8.58,5.63,;-9.72,4.6,;-9.41,3.1,;-10.25,.57,;-11.16,-.25,;-10.49,1.78,)|
Structure:
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