Drug General Information
Drug ID
D01GYS
Former ID
DNC012672
Drug Name
Tyr-Gly-Gly-Phe-leu-c(Cys-Arg-Ile-Arg-Cys)-lys
Indication Discovery agent Investigative [533889]
Structure
Download
2D MOL

3D MOL

Formula
C58H92N18O13S2
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CCCN=C(N)<br />N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(<br />=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CCCCN)C(=O)O)CCCN=C(N)N
InChI
1S/C58H92N18O13S2/c1-5-33(4)47-55(87)71-38(16-11-23-65-57(61)62)49(81)74-44(54(86)72-40(56(88)89)15-9-10-22-59)31-91-90-30-43(53(85)70-39(50(82)76-47)17-12-24-66-58(63)64)75-51(83)41(25-32(2)3)73-52(84)42(27-34-13-7-6-8-14-34)69-46(79)29-67-45(78)28-68-48(80)37(60)26-35-18-20-36(77)21-19-35/h6-8,13-14,18-21,32-33,37-44,47,77H,5,9-12,15-17,22-31,59-60H2,1-4H3,(H,67,78)(H,68,80)(H,69,79)(H,70,85)(H,71,87)(H,72,86)(H,73,84)(H,74,81)(H,75,83)(H,76,82)(H,88,89)(H4,61,62,65)(H4,63,64,66)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
InChIKey
JYEKWXODJFQZIP-HSIOXNDMSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [533889]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 533889J Med Chem. 1993 Mar 19;36(6):750-7.Design and synthesis of highly potent and selective cyclic dynorphin A analogs. 2. New analogs.
Ref 533889J Med Chem. 1993 Mar 19;36(6):750-7.Design and synthesis of highly potent and selective cyclic dynorphin A analogs. 2. New analogs.

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