TTD Drug ID: DNC010600

Drug Information
Name	[Sar1,Bpa3]AngII
Indication	Not Available			Experimental
Structure	Click to save drug structure in 3D MOL format Click to save drug structure in 2D MOL format
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(2 4-20-38)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
Canonical SMILES	CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(= O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6)NC(=O)C(CCCN= C(N)N)NC(=O)CNC
Isomeric SMILES	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H] (CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C= C5)C(=O)C6=CC=CC=C6)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
Target	Angiotensin II type 1 receptor			Inhibitor	[1]
Ref 1	J Med Chem. 2010 Mar 11;53(5):2063-75.The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1. To Reference

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