Reaction Details  Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50228314
Substrate
n/a
Meas. Tech.
ChEMBL_36495 (CHEMBL652312)
IC50
58±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:
BDBM50228314
Synonyms:
CHEMBL263571
Type:
Small organic molecule
Emp. Form.:
C47H63N13O12S2
Mol. Mass.:
1066.213
SMILES:
CC1(C)SSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:59.63,46.47,10.10,wD:22.24,6.44,63.66,37.39,26.28,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-3,-2.59,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.15,-5.94,;-4.65,-6.3,;-5.71,-5.18,;-6.9,-5.47,;-5.27,-3.7,;-3.77,-3.35,;.77,-2.62,;2.06,-1.79,;2.99,-2.59,;2.7,-.39,;4.23,-.61,;4.8,-2.04,;4.04,-3.01,;6.33,-2.26,;7.29,-1.06,;8.81,-1.28,;9.77,-.07,;11.29,-.3,;12.25,.91,;13.47,.73,;11.79,2.06,;6.9,-3.7,;8.43,-3.92,;9.19,-2.95,;9,-5.35,;8.23,-6.31,;10.52,-5.57,;11.09,-7,;10.33,-7.97,;12.31,-7.18,;-3.9,1.78,;-4.02,3,;-5.15,.88,;-6.55,1.52,;-7.8,.62,;-7.66,-.91,;-8.81,-1.91,;-8.19,-3.32,;-6.66,-3.17,;-6.33,-1.67,;-6.7,3.05,;-5.71,3.77,;-8.11,3.69,;-9.42,2.91,;-10.56,3.95,;-9.93,5.35,;-8.4,5.18,;-7.35,6.31,;-7.72,7.49,;-5.86,5.97,;-4.81,7.1,;-3.31,6.76,;-2.26,7.89,;-.76,7.55,;.29,8.68,;-.17,10.16,;-1.67,10.49,;-2.72,9.36,;-5.26,8.57,;-6.46,8.85,;-4.42,9.48,)|
Structure:
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