Reaction Details Report a problem with these data
Target
Type-1 angiotensin II receptor
Ligand
BDBM50048128
Substrate
n/a
Meas. Tech.
ChEMBL_1870352 (CHEMBL4371519)
Kd
1.6±n/a nM
Citation
 Tan, L; Yan, W; McCorvy, JD; Cheng, J Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential. J Med Chem 61:9841-9878 (2018) [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:
BDBM50048128
Synonyms:
Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II) | AspArgValTyrValHisProPh | CHEMBL216830 | [Asp1-Arg2-Val3-Tyr4-Val5-His6-Pro7-Phe8](angiotensin II)
Type:
Small organic molecule
Emp. Form.:
C49H69N13O12
Mol. Mass.:
1032.1521
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](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:18.18,3.3,46.46,63.65,wD:7.14,27.26,39.39,59.62,(35.46,.19,;34.15,-.62,;32.79,.12,;34.19,-2.16,;32.87,-2.96,;31.52,-2.23,;31.48,-.69,;30.21,-3.03,;30.25,-4.57,;31.6,-5.31,;31.64,-6.85,;33,-7.58,;33.04,-9.12,;31.73,-9.93,;34.39,-9.85,;28.85,-2.3,;27.54,-3.1,;27.58,-4.64,;26.19,-2.37,;24.87,-3.17,;26.15,-.84,;27.46,-.03,;28.81,-.76,;27.42,1.51,;35.54,-2.89,;35.58,-4.43,;36.86,-2.08,;38.21,-2.82,;38.25,-4.36,;39.6,-5.1,;40.9,-4.3,;42.26,-5.02,;42.3,-6.56,;43.66,-7.3,;40.99,-7.36,;39.64,-6.64,;39.52,-2.02,;39.48,-.47,;40.88,-2.75,;42.19,-1.94,;43.54,-2.68,;44.85,-1.88,;43.58,-4.21,;42.14,-.41,;40.79,.33,;43.46,.4,;43.42,1.94,;42.06,2.68,;42.02,4.22,;40.76,5.08,;41.19,6.56,;42.73,6.61,;43.25,5.16,;44.73,2.75,;44.69,4.29,;46.08,2.01,;46.29,.48,;47.8,.21,;48.53,1.56,;47.47,2.67,;47.75,4.19,;46.59,5.19,;49.23,4.63,;49.59,6.13,;48.47,7.18,;48.83,8.69,;50.3,9.14,;50.67,10.63,;49.55,11.68,;48.07,11.26,;47.71,9.75,;51.07,6.57,;51.42,8.07,;52.19,5.51,)|
Structure:
Search PDB for entries with ligand similarity: