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Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50228196
Substrate
n/a
Meas. Tech.
ChEMBL_34975 (CHEMBL884036)
IC50
28±n/a nM
Citation
 Schmidt, B; Lindman, S; Tong, W; Lindeberg, G; Gogoll, A; Lai, Z; Thörnwall, M; Synnergren, B; Nilsson, A; Welch, CJ; Sohtell, M; Westerlund, C; Nyberg, F; Karlén, A; Hallberg, A Design, synthesis, and biological activities of four angiotensin II receptor ligands with gamma-turn mimetics replacing amino acid residues 3-5. J Med Chem 40:903-19 (1997) [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:
BDBM50228196
Synonyms:
CHEMBL405464
Type:
Small organic molecule
Emp. Form.:
C45H59N13O12S2
Mol. Mass.:
1038.16
SMILES:
N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[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:57.61,44.45,9.8,29.29,1.0,wD:25.42,20.19,61.64,(6.12,8.38,;7.12,7.67,;8.53,8.31,;8.67,9.85,;7.67,10.56,;9.79,10.36,;6.98,6.14,;7.98,5.42,;5.58,5.49,;5.44,3.96,;6.7,3.07,;8.1,3.72,;9.35,2.83,;10.75,3.47,;12.01,2.58,;13.13,3.1,;11.9,1.36,;4.03,3.32,;3.03,4.03,;3.89,1.78,;2.49,1.14,;1.48,2.3,;,2.73,;-1.48,2.3,;-2.49,1.14,;-2.71,-.39,;-2.07,-1.79,;-.77,-2.62,;-1.12,-3.8,;.77,-2.62,;1.2,-4.11,;.14,-5.22,;.56,-6.7,;-.5,-7.81,;-2,-7.45,;-2.85,-8.33,;-2.43,-5.96,;-1.36,-4.85,;2.06,-1.79,;2.7,-.39,;3.92,-.56,;-4.24,-.61,;-5,.36,;-4.81,-2.04,;-6.33,-2.26,;-6.9,-3.7,;-5.95,-4.91,;-6.38,-6.37,;-5.1,-7.23,;-3.89,-6.27,;-4.43,-4.83,;-7.29,-1.06,;-6.83,.09,;-8.81,-1.28,;-9.5,-2.64,;-11.02,-2.39,;-11.25,-.86,;-9.87,-.18,;-9.6,1.33,;-10.54,2.13,;-8.15,1.86,;-7.88,3.38,;-6.44,3.91,;-6.17,5.42,;-4.72,5.95,;-4.45,7.46,;-5.64,8.45,;-7.08,7.92,;-7.35,6.41,;-9.06,4.37,;-10.22,3.96,;-8.84,5.58,)|
Structure:
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