Therapeutic Targets Database
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TTD Drug ID: DNC010598

Drug Information
Name[Sar1,Bpa8]AngII
IndicationNot AvailableExperimental    
Structure

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InChI1S/C56H75N13O11/c1-6-33(4)47(68-50(74)41(26-35-18-22-39(70)23-19-
35)64-52(76)46(32(2)3)67-49(73)40(63-45(71)30-59-5)14-10-24-61-56
(57)58)53(77)65-42(28-38-29-60-31-62-38)54(78)69-25-11-15-44(69)5
1(75)66-43(55(79)80)27-34-16-20-37(21-17-34)48(72)36-12-8-7-9-13-
36/h7-9,12-13,16-23,29,31-33,40-44,46-47,59,70H,6,10-11,14-15,24-
28,30H2,1-5H3,(H,60,62)(H,63,71)(H,64,76)(H,65,77)(H,66,75)(H,67,
73)(H,68,74)(H,79,80)(H4,57,58,61)/t33-,40-,41-,42-,43-,44-,46-,4
7-/m0/s1
InChIKeyCLBUUAFJDOTEBS-AAVPAQJNSA-N
Canonical SMILESCCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)C(=O)C4=CC=
CC=C4)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC
(=O)CNC    
Isomeric SMILESCC[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=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=
O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
TargetAngiotensin II type 1 receptorInhibitor[1]
Ref 1J 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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