Drug General Information
Drug ID
D0Z2EV
Former ID
DNC013622
Drug Name
Conantokin-R
Indication Discovery agent Investigative [529118]
Structure
Download
2D MOL

3D MOL

Formula
C126H202N34O48S3
Canonical SMILES
CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CS)C(=O)<br />NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)<br />NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)N)N<br />C(=O)C(CC(C(=O)O)C(=O)O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(<br />CC(C)C)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(C)NC(<br />=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C<br />(CC(C(=O)O)C(=O)O)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(<br />=O)O)NC(=O)CN
InChI
1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
InChIKey
XIRRXDGMZVHVEG-AZOPZXLDSA-N
PubChem Compound ID
Target and Pathway
Target(s) Glutamate [NMDA] receptor subunit epsilon 2 Target Info Inhibitor [529118]
Glutamate [NMDA] receptor subunit epsilon 1 Target Info Inhibitor [529118]
KEGG Pathway Ras signaling pathway
Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Circadian entrainment
Long-term potentiation
Glutamatergic synapse
Dopaminergic synapse
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)
Huntington's disease
Cocaine addiction
Amphetamine addiction
Nicotine addiction
Alcoholism
Systemic lupus erythematosushsa04014:Ras signaling pathway
Calcium signaling pathway
Systemic lupus erythematosus
PANTHER Pathway Huntington disease
Ionotropic glutamate receptor pathway
Metabotropic glutamate receptor group III pathway
Metabotropic glutamate receptor group I pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00029:Huntington disease
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Pathway Interaction Database ErbB4 signaling events
Reelin signaling pathwayreelinpathway:Reelin signaling pathway
Reactome EPHB-mediated forward signaling
Unblocking of NMDA receptor, glutamate binding and activation
CREB phosphorylation through the activation of CaMKII
Ras activation uopn Ca2+ infux through NMDA receptor
RAF/MAP kinase cascadeR-HSA-438066:Unblocking of NMDA receptor, glutamate binding and activation
RAF/MAP kinase cascade
WikiPathways Hypothetical Network for Drug Addiction
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
BDNF signaling pathwayWP666:Hypothetical Network for Drug Addiction
Alzheimers Disease
References
Ref 529118J Biol Chem. 2007 Dec 21;282(51):36905-13. Epub 2007 Oct 25.Novel conantokins from Conus parius venom are specific antagonists of N-methyl-D-aspartate receptors.
Ref 529118J Biol Chem. 2007 Dec 21;282(51):36905-13. Epub 2007 Oct 25.Novel conantokins from Conus parius venom are specific antagonists of N-methyl-D-aspartate receptors.

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