Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50571385
Substrate
n/a
Meas. Tech.
ChEMBL_2114601 (CHEMBL4823542)
EC50
>10000±n/a nM
Citation
 Narayanan, S; Wang, S; Vasukuttan, V; Vyas Devambatla, RK; Dai, D; Jin, C; Snyder, R; Laudermilk, L; Runyon, SP; Maitra, R Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice. J Med Chem 64:3006-3025 (2021) [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:
BDBM50571385
Synonyms:
CHEMBL4875417
Type:
Small organic molecule
Emp. Form.:
C31H46ClN5O4
Mol. Mass.:
588.181
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1 |r,wU:24.26,(68.7,-35.36,;57.22,-33.55,;58.36,-34.58,;58.04,-36.08,;56.58,-36.56,;56.26,-38.07,;57.42,-39.1,;58.87,-38.62,;60.02,-39.64,;59.71,-41.15,;59.19,-37.11,;60.64,-36.64,;61.12,-35.17,;62.66,-35.17,;63.13,-36.63,;61.89,-37.54,;61.9,-39.08,;60.66,-39.99,;61.13,-41.45,;62.67,-41.45,;63.15,-39.99,;63.56,-33.92,;62.93,-32.52,;65.09,-34.08,;65.99,-32.83,;65.37,-31.43,;66.27,-30.18,;65.64,-28.77,;66.55,-27.52,;65.93,-26.12,;64.4,-25.96,;63.49,-27.2,;64.12,-28.62,;67.53,-32.99,;68.43,-31.74,;67.8,-30.34,;69.96,-31.9,;70.87,-30.66,;72.38,-30.41,;72.14,-28.89,;70.62,-29.14,)|
Structure:
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