Therapeutic Targets Database
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TTD Drug ID: DNC004576

Drug Information
NameFGGFTGARKSARKLADE
IndicationNot AvailableExperimental    
Structure

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InChI1S/C79H128N26O23/c1-41(2)33-54(73(124)94-44(5)67(118)102-56(36-62
(113)114)74(125)97-49(64(83)115)27-28-61(111)112)103-71(122)50(23
-13-15-29-80)100-70(121)53(26-18-32-89-79(86)87)99-66(117)43(4)95
-76(127)57(40-106)104-72(123)51(24-14-16-30-81)101-69(120)52(25-1
7-31-88-78(84)85)98-65(116)42(3)93-59(109)39-92-77(128)63(45(6)10
7)105-75(126)55(35-47-21-11-8-12-22-47)96-60(110)38-90-58(108)37-
91-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,
106-107H,13-18,23-40,80-82H2,1-6H3,(H2,83,115)(H,90,108)(H,91,119
)(H,92,128)(H,93,109)(H,94,124)(H,95,127)(H,96,110)(H,97,125)(H,9
8,116)(H,99,117)(H,100,121)(H,101,120)(H,102,118)(H,103,122)(H,10
4,123)(H,105,126)(H,111,112)(H,113,114)(H4,84,85,88)(H4,86,87,89)
/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/
s1
InChIKeyPUPSFQBPHILNGY-SMFNREODSA-N
Canonical SMILESCC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(CCCCN)
NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)
N)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=
O)C(CC2=CC=CC=C2)N    
Isomeric SMILESC[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]
(CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@
H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N
[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@
H](CC2=CC=CC=C2)N)O
TargetNociceptin receptorInhibitor[1]
Ref 1J Med Chem. 2001 Nov 8;44(23):4015-8.Structure-activity studies on nociceptin analogues: ORL1 receptor binding and biological activity of cyclic disulfide-containing analogues of nociceptin peptides. To Reference



 

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