Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50313246
Substrate
n/a
Meas. Tech.
ChEMBL_617060 (CHEMBL1100566)
Ki
19.4±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 
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:
BDBM50313246
Synonyms:
CHEMBL1076612 | [Bpa1]AngII
Type:
Small organic molecule
Emp. Form.:
C62H79N13O11
Mol. Mass.:
1182.3712
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)C(=O)c1ccccc1)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:4.4,58.60,71.76,35.36,20.21,wD:2.2,24.32,75.79,8.17,(34.53,1.09,;34.53,-.46,;35.84,-1.23,;37.19,-.45,;35.84,-2.75,;34.53,-3.51,;33.18,-2.74,;33.18,-1.21,;31.85,-3.5,;31.85,-5.05,;33.18,-5.82,;34.51,-5.07,;35.84,-5.85,;35.82,-7.39,;37.15,-8.18,;34.49,-8.14,;33.16,-7.37,;30.52,-2.73,;29.19,-3.5,;29.19,-5.06,;27.84,-2.72,;26.51,-3.5,;25.18,-2.73,;25.18,-1.2,;23.85,-3.49,;23.85,-5.05,;25.18,-5.81,;25.18,-7.36,;26.5,-8.13,;26.5,-9.68,;25.15,-10.45,;27.82,-10.44,;22.52,-2.71,;21.19,-3.48,;21.19,-5.02,;19.86,-2.72,;18.53,-3.48,;19.86,-1.16,;21.2,-.39,;22.55,-1.16,;23.89,-.39,;23.89,1.17,;22.53,1.94,;21.2,1.16,;25.22,1.94,;26.55,1.18,;25.21,3.48,;26.55,4.25,;26.54,5.78,;25.21,6.55,;23.87,5.77,;23.88,4.23,;27.84,-1.2,;29.19,-.42,;26.53,-.44,;37.19,-3.53,;37.19,-5.08,;38.51,-2.77,;39.86,-3.54,;41.18,-2.78,;41.18,-1.25,;39.96,-.34,;40.44,1.12,;41.98,1.11,;42.44,-.36,;39.86,-5.1,;38.51,-5.87,;41.18,-5.86,;42.76,-5.32,;43.78,-6.65,;42.83,-8.03,;41.44,-7.35,;40.21,-8.28,;38.83,-7.61,;40.33,-9.81,;39.04,-10.66,;37.66,-9.99,;36.39,-10.84,;36.49,-12.38,;35.22,-13.24,;33.84,-12.57,;33.73,-11.03,;35,-10.17,;39.15,-12.2,;37.88,-13.06,;40.53,-12.87,)|
Structure:
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