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Target
Type-1 angiotensin II receptor
Ligand
BDBM50544720
Substrate
n/a
Meas. Tech.
ChEMBL_1993677 (CHEMBL4627572)
EC50
>10000±n/a nM
Citation
 Narayanan, S; Vasukuttan, V; Rajagopal, S; Maitra, R; Runyon, SP Identification of potent pyrazole based APELIN receptor (APJ) agonists. Bioorg Med Chem 28:0 (2020) [PubMed]  Article
Target
Name:
Type-1 angiotensin II receptor
Synonyms:
AGTR1 | AGTR1A | AGTR1B | AGTR1_HUMAN | AT1 | AT1AR | AT1BR | AT2R1 | AT2R1B | Angiotensin II AT1 | Angiotensin II receptor | Angiotensin II type 1b (AT-1b) receptor | Type-1 angiotensin II receptor (AT1)
Type:
Protein
Mol. Mass.:
41080.75
Organism:
Homo sapiens (Human)
Description:
P30556
Residue:
359
Sequence:
MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
  
Inhibitor
Name:
BDBM50544720
Synonyms:
CHEMBL4632564
Type:
Small organic molecule
Emp. Form.:
C31H46N4O4
Mol. Mass.:
538.7213
SMILES:
COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:22.24,(36.18,-25.4,;36.81,-26.8,;35.91,-28.05,;34.38,-27.89,;33.47,-29.13,;34.09,-30.54,;35.63,-30.71,;36.25,-32.12,;35.35,-33.36,;36.54,-29.45,;38.07,-29.61,;39.1,-28.46,;40.51,-29.09,;40.35,-30.62,;38.84,-30.94,;38.22,-32.35,;39.14,-33.59,;38.52,-35,;40.67,-33.42,;41.84,-28.31,;41.84,-26.77,;43.17,-29.08,;44.51,-28.31,;44.5,-26.77,;45.84,-26,;45.83,-24.46,;47.17,-23.69,;47.17,-22.16,;45.84,-21.38,;44.5,-22.15,;44.5,-23.7,;45.84,-29.08,;47.17,-28.3,;47.17,-26.76,;48.51,-29.07,;49.84,-28.3,;51.33,-28.7,;51.73,-27.21,;50.24,-26.81,)|
Structure:
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