Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50452851
Substrate
n/a
Meas. Tech.
ChEMBL_36495 (CHEMBL652312)
IC50
0.900000±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]  Article 
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:
BDBM50452851
Synonyms:
CHEMBL2373017
Type:
Small organic molecule
Emp. Form.:
C43H65N13O10S2
Mol. Mass.:
988.187
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |wU:8.7,4.4,15.16,53.55,2.1,wD:32.34,25.26,36.38,(-13.57,-1.73,;-12.05,-1.44,;-11.05,-2.61,;-11.56,-4.06,;-9.54,-2.32,;-8.53,-3.49,;-7.02,-3.2,;-6.51,-1.75,;-6.01,-4.37,;-6.36,-5.86,;-5.05,-6.66,;-3.88,-5.66,;-4.48,-4.24,;-3.68,-2.92,;-4.42,-1.57,;-2.14,-2.95,;-1.02,-4.01,;-1.37,-5.51,;-.36,-6.68,;-1.16,-7.99,;-2.66,-7.64,;-2.79,-6.1,;-1.34,-1.64,;.2,-1.67,;.94,-3.02,;1,-.35,;.23,.98,;1,2.31,;.23,3.65,;1,4.98,;2.54,4.98,;3.31,3.65,;4.85,3.65,;5.62,4.98,;7.16,4.98,;7.93,3.65,;7.93,6.31,;7.16,7.65,;7.93,8.98,;7.16,10.31,;7.93,11.65,;7.16,12.98,;7.93,14.32,;5.62,12.98,;9.47,6.31,;10.24,7.65,;9.47,8.98,;11.78,7.65,;12.55,8.98,;14.09,8.98,;5.62,2.31,;7.16,2.35,;4.84,.82,;5.16,-.69,;6.57,-1.31,;6.73,-2.85,;8.14,-3.47,;8.3,-5,;7.05,-5.91,;7.21,-7.44,;5.64,-5.28,;5.48,-3.75,;3.83,-1.46,;3.67,-2.99,;2.68,-.43,;-9.03,-.87,;-7.51,-.58,;-10.03,.3,)|
Structure:
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