Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50228308
Substrate
n/a
Meas. Tech.
ChEMBL_36495 (CHEMBL652312)
IC50
2.6±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:
BDBM50228308
Synonyms:
CHEMBL413740
Type:
Small organic molecule
Emp. Form.:
C49H67N13O12S2
Mol. Mass.:
1094.266
SMILES:
CC1(C)SSC(C)(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:44.46,8.8,61.65,48.49,wD:65.68,32.32,23.23,12.12,(2.55,2.37,;2.49,1.14,;3.45,.38,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.71,2.19,;-.86,3.37,;-2.49,1.14,;-3.89,1.78,;-4.04,3.32,;-3.03,4.03,;-5.44,3.96,;-6.7,3.07,;-8.09,3.72,;-9.35,2.83,;-10.75,3.47,;-12.01,2.58,;-13.13,3.1,;-11.9,1.36,;-5.58,5.49,;-6.98,6.14,;-7.98,5.42,;-7.12,7.67,;-6.12,8.38,;-8.53,8.31,;-8.67,9.84,;-7.67,10.56,;-9.79,10.36,;-2.71,-.39,;-3.93,-.56,;-2.07,-1.79,;-.77,-2.62,;-1.21,-4.1,;-2.71,-4.47,;-3.77,-3.35,;-5.27,-3.7,;-5.71,-5.18,;-6.9,-5.47,;-4.65,-6.3,;-3.15,-5.94,;.77,-2.62,;1.12,-3.8,;2.06,-1.79,;2.7,-.39,;4.24,-.6,;4.7,-1.75,;5.19,.61,;6.71,.39,;7.66,1.6,;7.09,3.03,;7.91,4.32,;6.93,5.5,;5.5,4.92,;5.6,3.39,;7.29,-1.04,;6.53,-2.01,;8.82,-1.25,;9.86,-.14,;11.25,-.81,;11.04,-2.34,;9.52,-2.61,;8.83,-3.98,;9.52,-5.01,;7.3,-4.08,;6.61,-5.46,;5.07,-5.56,;4.39,-6.94,;2.85,-7.03,;2.16,-8.42,;3.02,-9.7,;4.56,-9.6,;5.24,-8.22,;7.46,-6.75,;8.69,-6.67,;6.91,-7.85,)|
Structure:
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