Therapeutic Targets Database
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TTD Drug ID: DNC014734

Drug Information
NameBoc-Glu-Tyr(SO3H)-Nle-D-Lys-Trp-Nle-Asp-Phe-NH2
IndicationNot AvailableExperimental    
Structure

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InChI1S/C61H85N11O18S/c1-6-8-20-42(66-57(82)47(32-37-24-26-39(27-25-37
)90-91(86,87)88)69-56(81)45(28-29-50(73)74)72-60(85)89-61(3,4)5)5
3(78)65-44(23-15-16-30-62)55(80)70-48(33-38-35-64-41-22-14-13-19-
40(38)41)58(83)67-43(21-9-7-2)54(79)71-49(34-51(75)76)59(84)68-46
(52(63)77)31-36-17-11-10-12-18-36/h10-14,17-19,22,24-27,35,42-49,
64H,6-9,15-16,20-21,23,28-34,62H2,1-5H3,(H2,63,77)(H,65,78)(H,66,
82)(H,67,83)(H,68,84)(H,69,81)(H,70,80)(H,71,79)(H,72,85)(H,73,74
)(H,75,76)(H,86,87,88)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyNLVKBXFAISROGJ-XJIZABAQSA-N
Canonical SMILESCCCCC(C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=
O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)
C(CCC(=O)O)NC(=O)OC(C)(C)C    
Isomeric SMILESCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@
H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@
H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C
TargetCholecystokinin A receptorInhibitor[1]
Ref 1J Med Chem. 1989 Jun;32(6):1184-90.Synthesis and binding affinities of cyclic and related linear analogues of CCK8 selective for central receptors. To Reference



 

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