Drug General Information
Drug ID
D07EWK
Former ID
DNC010600
Drug Name
[Sar1,Bpa3]AngII
Indication Discovery agent Investigative [530710]
Structure
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2D MOL

3D MOL

Formula
C60H75N13O11
Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C<br />C=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=<br />C5)C(=O)C6=CC=CC=C6)NC(=O)C(CCCN=C(N)N)NC(=O)CNC
InChI
1S/C60H75N13O11/c1-4-36(2)51(57(81)70-47(32-42-33-64-35-66-42)58(82)73-28-12-18-49(73)56(80)71-48(59(83)84)31-37-13-7-5-8-14-37)72-55(79)46(30-39-21-25-43(74)26-22-39)69-54(78)45(29-38-19-23-41(24-20-38)52(76)40-15-9-6-10-16-40)68-53(77)44(67-50(75)34-63-3)17-11-27-65-60(61)62/h5-10,13-16,19-26,33,35-36,44-49,51,63,74H,4,11-12,17-18,27-32,34H2,1-3H3,(H,64,66)(H,67,75)(H,68,77)(H,69,78)(H,70,81)(H,71,80)(H,72,79)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,49-,51-/m0/s1
InChIKey
PXNIGPMZOUUXMA-FSKISDTGSA-N
PubChem Compound ID
Target and Pathway
Target(s) Type-1 angiotensin II receptor Target Info Inhibitor [530710]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Renin-angiotensin system
Renin secretion
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Angiotensin II-stimulated signaling through G proteins and beta-arrestin
Pathway Interaction Database Arf6 trafficking events
Arf6 signaling events
Angiopoietin receptor Tie2-mediated signaling
PathWhiz Pathway Angiotensin Metabolism
Muscle/Heart Contraction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways ACE Inhibitor Pathway
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Allograft Rejection
GPCR ligand binding
GPCR downstream signaling
References
Ref 530710J Med Chem. 2010 Mar 11;53(5):2063-75.The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1.
Ref 530710J Med Chem. 2010 Mar 11;53(5):2063-75.The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1.

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