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Target
Type-1 angiotensin II receptor A/B
Ligand
BDBM50230893
Substrate
n/a
Meas. Tech.
ChEMBL_34973 (CHEMBL649502)
IC50
2.8±n/a nM
Citation
 Sircar, I; Hodges, JC; Quin, J; Bunker, AM; Winters, RT; Edmunds, JJ; Kostlan, CR; Connolly, C; Kesten, SJ; Hamby, JM Nonpeptide angiotensin II receptor antagonists. 2. Design, synthesis, and structure-activity relationships of 2-alkyl-4-(1H-pyrrol-1-yl)-1H-imidazole derivatives: profile of 2-propyl-1-[[2'-(1H-tetrazol-5-yl)-[1,1' -biphenyl]-4-yl]-methyl]-4-[2-(trifluoroacetyl)-1H-pyrrol-1-yl]-1H- imidazole-5-car J Med Chem 36:2253-65 (1993) [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:
BDBM50230893
Synonyms:
CHEMBL308031
Type:
Small organic molecule
Emp. Form.:
C27H25N7O2
Mol. Mass.:
479.5331
SMILES:
Cc1ccc(C)n1-c1nc(C2CC2)n(Cc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)c1C(O)=O |(14.26,-14.55,;15.71,-14.07,;16.95,-14.97,;18.19,-14.05,;17.71,-12.59,;18.48,-11.85,;16.18,-12.61,;15.26,-11.37,;13.73,-11.37,;13.25,-9.91,;11.79,-9.43,;10.76,-8.29,;10.28,-9.75,;14.49,-9.01,;14.49,-7.46,;13.15,-6.7,;13.13,-5.14,;11.79,-4.39,;10.47,-5.17,;10.47,-6.7,;11.81,-7.46,;9.14,-4.4,;7.81,-5.17,;6.47,-4.4,;6.47,-2.84,;7.81,-2.08,;9.14,-2.84,;10.45,-2.07,;10.61,-.54,;12.11,-.2,;12.89,-1.54,;11.85,-2.68,;15.74,-9.9,;17.2,-9.43,;18.34,-10.45,;17.51,-7.94,)|
Structure:
Search PDB for entries with ligand similarity: