Drug Information

Drug General Information
Drug ID
D0Y5AT
Former ID
DNC013936
Drug Name
FGGFTGARKSARKKKNQ
Indication Discovery agent Investigative [529719]
Structure
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2D MOL

3D MOL
Formula
C82H137N29O22
Canonical SMILES
CC(C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)<br />C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C<br />(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(<br />=O)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(<br />CC2=CC=CC=C2)N)O
InChI
1S/C82H137N29O22/c1-45(99-64(117)43-98-79(131)66(47(3)113)111-77(129)58(39-49-22-8-5-9-23-49)101-65(118)42-96-63(116)41-97-69(121)50(87)38-48-20-6-4-7-21-48)67(119)102-55(28-18-36-94-81(90)91)72(124)107-54(27-13-17-35-86)75(127)110-60(44-112)78(130)100-46(2)68(120)103-56(29-19-37-95-82(92)93)73(125)105-52(25-11-15-33-84)70(122)104-51(24-10-14-32-83)71(123)106-53(26-12-16-34-85)74(126)109-59(40-62(89)115)76(128)108-57(80(132)133)30-31-61(88)114/h4-9,20-23,45-47,50-60,66,112-113H,10-19,24-44,83-87H2,1-3H3,(H2,88,114)(H2,89,115)(H,96,116)(H,97,121)(H,98,131)(H,99,117)(H,100,130)(H,101,118)(H,102,119)(H,103,120)(H,104,122)(H,105,125)(H,106,123)(H,107,124)(H,108,128)(H,109,126)(H,110,127)(H,111,129)(H,132,133)(H4,90,91,94)(H4,92,93,95)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
InChIKey
UDQRAMWZBFAZAV-WBMOPDPASA-N
PubChem Compound ID
44588832
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [529719]
KEGG 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
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 529719Bioorg Med Chem. 2008 Oct 15;16(20):9261-7. Epub 2008 Sep 9.Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.
Ref 529719Bioorg Med Chem. 2008 Oct 15;16(20):9261-7. Epub 2008 Sep 9.Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.

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