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
BDBM50228202
Substrate
n/a
Meas. Tech.
ChEMBL_36479 (CHEMBL651548)
Ki
53±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:
BDBM50228202
Synonyms:
CHEMBL368638
Type:
Small organic molecule
Emp. Form.:
C39H61N13O8
Mol. Mass.:
839.9839
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(N)=O |wU:36.36,17.16,56.59,wD:43.43,24.23,6.5,(1.06,-8.48,;1.83,-7.17,;3.16,-6.41,;4.5,-7.17,;4.5,-8.7,;5.8,-6.41,;7.14,-7.17,;7.14,-8.7,;8.45,-9.47,;8.45,-10.99,;9.78,-11.78,;9.78,-13.31,;11.12,-14.07,;8.45,-14.07,;8.45,-6.41,;8.45,-4.88,;9.78,-7.17,;11.12,-6.41,;11.12,-4.88,;12.46,-4.11,;9.78,-4.11,;12.46,-7.17,;12.46,-8.7,;13.76,-6.41,;15.1,-7.17,;15.1,-8.7,;16.44,-9.47,;17.74,-8.7,;19.08,-9.47,;19.08,-10.99,;20.42,-11.78,;17.74,-11.78,;16.44,-10.99,;16.44,-6.41,;16.44,-4.88,;17.74,-7.17,;19.08,-6.41,;19.08,-4.88,;20.42,-4.11,;17.74,-4.11,;20.42,-7.17,;20.42,-8.7,;21.72,-6.41,;23.06,-7.17,;23.06,-8.7,;23.63,-10.17,;23.19,-11.76,;24.62,-12.62,;25.89,-11.52,;25.18,-10.17,;24.4,-6.41,;24.4,-4.88,;25.7,-7.17,;25.86,-8.7,;27.36,-9.02,;28.15,-7.68,;27.1,-6.54,;27.42,-5.04,;26.31,-4.02,;28.89,-4.58,)|
Structure:
Search PDB for entries with ligand similarity: