Ki Summary

Reaction Details

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Target

Type-1 angiotensin II receptor

Ligand

BDBM50313245

Substrate

n/a

Meas. Tech.

ChEMBL_617060 (CHEMBL1100566)

26.4±n/a nM

Citation

Fillion, D; Lemieux, G; Basambombo, LL; Lavigne, P; Guillemette, G; Leduc, R; Escher, E The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1. J Med Chem 53:2063-75 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Type-1 angiotensin II receptor

Synonyms:

Type:

Protein

Mol. Mass.:

41080.75

Organism:

Homo sapiens (Human)

Description:

P30556

Residue:

359

Sequence:

MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE

Inhibitor

Name:

BDBM50313245

Synonyms:

CHEMBL1076613 | [Tdf1]AngII

Type:

Small organic molecule

Emp. Form.:

C57H74F3N15O10

Mol. Mass.:

1186.2872

SMILES:

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(cc1)C1(N=N1)C(F)(F)F)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:4.4,57.59,70.75,35.36,20.21,wD:2.2,24.32,74.78,8.17,c:47,(6.95,-16.43,;6.95,-17.98,;8.26,-18.74,;9.61,-17.96,;8.26,-20.27,;6.95,-21.03,;5.6,-20.25,;5.6,-18.73,;4.28,-21.01,;4.28,-22.56,;5.6,-23.33,;6.93,-22.58,;8.25,-23.35,;8.24,-24.9,;9.57,-25.69,;6.91,-25.65,;5.59,-24.88,;2.94,-20.24,;1.61,-21.02,;1.61,-22.57,;.27,-20.24,;-1.06,-21.02,;-2.39,-20.25,;-2.39,-18.72,;-3.72,-21.01,;-3.72,-22.56,;-2.4,-23.32,;-2.4,-24.87,;-1.08,-25.64,;-1.08,-27.19,;-2.42,-27.96,;.25,-27.94,;-5.05,-20.22,;-6.38,-20.99,;-6.38,-22.53,;-7.71,-20.23,;-9.04,-20.99,;-7.71,-18.68,;-6.37,-17.9,;-5.03,-18.68,;-3.69,-17.9,;-3.69,-16.35,;-5.04,-15.58,;-6.38,-16.36,;-2.35,-15.57,;-.82,-15.57,;-1.59,-14.24,;-3.45,-14.47,;-3.05,-12.99,;-4.94,-14.86,;-4.54,-13.37,;.27,-18.71,;1.61,-17.94,;-1.05,-17.95,;9.61,-21.04,;9.61,-22.59,;10.92,-20.28,;12.27,-21.05,;13.59,-20.29,;13.59,-18.77,;12.37,-17.86,;12.85,-16.4,;14.39,-16.41,;14.85,-17.88,;12.27,-22.61,;10.92,-23.38,;13.59,-23.37,;15.17,-22.83,;16.19,-24.16,;15.24,-25.54,;13.85,-24.86,;12.62,-25.78,;11.24,-25.11,;12.74,-27.32,;11.45,-28.17,;10.07,-27.5,;8.8,-28.35,;8.9,-29.89,;7.63,-30.74,;6.26,-30.07,;6.15,-28.54,;7.42,-27.68,;11.56,-29.7,;10.29,-30.56,;12.94,-30.37,)|

Structure: