Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
Ligand
BDBM50228203
Substrate
n/a
Meas. Tech.
ChEMBL_36479 (CHEMBL651548)
Ki
1.7±n/a nM
Citation
 Hsieh, KH; LaHann, TR; Speth, RC Topographic probes of angiotensin and receptor: potent angiotensin II agonist containing diphenylalanine and long-acting antagonists containing biphenylalanine and 2-indan amino acid in position 8. J Med Chem 32:898-903 (1989) [PubMed]  Article 
Target
Name:
Type-1 angiotensin II receptor A/Type-1 angiotensin II receptor B/Type-2 angiotensin II receptor
Synonyms:
Angiotensin II receptor | Type-1A/Type-1B/Type-2 angiotensin II receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 36477
Components:
This complex has 3 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-2 angiotensin II receptor
Synonyms:
AGTR2_RAT | AT2 | Agtr2 | Angiotensin II AT2 | Angiotensin II receptor | Angiotensin II type 2 (AT-2) receptor | Type-2 angiotensin II receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41346.62
Organism:
RAT
Description:
Angiotensin II AT2 0 0::P35351
Residue:
363
Sequence:
MKDNFSFAATSRNITSSLPFDNLNATGTNESAFNCSHKPADKHLEAIPVLYYMIFVIGFAVNIVVVSLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATYYSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYVVPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIPLIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALTWMGIINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRVPITWLQGKRETMSCRKSSSLREMDTFVS
  
Component 3
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:
BDBM50228203
Synonyms:
CHEMBL262025
Type:
Small organic molecule
Emp. Form.:
C54H73N13O10
Mol. Mass.:
1064.2385
SMILES:
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |wU:56.59,36.36,17.16,wD:43.43,24.23,60.62,6.5,(-1.11,-12.7,;-1.11,-11.16,;.24,-10.39,;1.55,-11.16,;1.55,-12.7,;2.9,-10.39,;4.24,-11.16,;4.24,-12.7,;5.56,-13.47,;5.56,-15.01,;6.9,-15.78,;6.9,-17.32,;8.25,-18.09,;5.56,-18.09,;5.56,-10.39,;5.56,-8.86,;6.9,-11.16,;8.25,-10.39,;8.25,-8.86,;9.56,-8.05,;6.9,-8.05,;9.56,-11.16,;9.56,-12.7,;10.91,-10.39,;12.25,-11.16,;12.25,-12.7,;13.57,-13.47,;13.57,-15.01,;14.91,-15.78,;16.26,-15.01,;17.57,-15.78,;16.26,-13.47,;14.91,-12.7,;13.57,-10.39,;13.57,-8.86,;14.91,-11.16,;16.26,-10.39,;16.26,-8.86,;17.57,-8.05,;14.91,-8.05,;17.57,-11.16,;17.57,-12.7,;18.92,-10.39,;20.27,-11.16,;20.27,-12.7,;20.81,-14.18,;20.59,-15.75,;22.19,-16.45,;23.31,-15.11,;22.28,-13.91,;21.58,-10.39,;21.58,-8.86,;22.93,-11.16,;23.09,-12.7,;24.59,-13.02,;25.36,-11.68,;24.34,-10.52,;24.66,-9.02,;26.13,-8.54,;23.5,-7.99,;23.85,-6.48,;25.39,-5.84,;26.45,-4.75,;25.97,-3.31,;27,-2.18,;28.5,-2.51,;28.98,-3.98,;27.93,-5.1,;29.56,-1.36,;29.08,.12,;30.14,1.27,;31.66,.93,;32.12,-.56,;31.09,-1.7,;22.7,-5.46,;23.02,-3.95,;21.23,-5.94,)|
Structure:
Search PDB for entries with ligand similarity: