Drug General Information
Drug ID
D0CE9U
Former ID
DNC012205
Drug Name
Asp-Tyr(OSO3H)-Met-Gly-Trp-Met-Asp-Phe
Synonyms
Asp-Tyr(SO3Na)-Met-Gly-Trp-Met-Asp-Phe-NH2
Indication Discovery agent Investigative [551252]
Structure
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2D MOL

3D MOL

Canonical SMILES
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CS)NC(=O)C(CC4=CC=<br />C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N
InChI
1S/C45H54N10O16S3/c46-28(17-37(57)58)40(62)52-31(15-24-10-12-26(13-11-24)71-74(68,69)70)42(64)54-34(21-72)41(63)49-20-36(56)50-32(16-25-19-48-29-9-5-4-8-27(25)29)43(65)55-35(22-73)45(67)53-33(18-38(59)60)44(66)51-30(39(47)61)14-23-6-2-1-3-7-23/h1-13,19,28,30-35,48,72-73H,14-18,20-22,46H2,(H2,47,61)(H,49,63)(H,50,56)(H,51,66)(H,52,62)(H,53,67)(H,54,64)(H,55,65)(H,57,58)(H,59,60)(H,68,69,70)/t28-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
UOJBNRUFXOXRBL-NBWDCHGVSA-N
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [551252]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [551255]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04020:Calcium signaling pathway
Gastric acid secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPK
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, Other
References
Ref 551252Toward developing peptidomimetics: Successful replacement of backbone amide bonds in tetrapeptide-based CCK-A receptor agonists, Bioorg. Med. Chem. Lett. 3(5):855-860 (1993).
Ref 551252Toward developing peptidomimetics: Successful replacement of backbone amide bonds in tetrapeptide-based CCK-A receptor agonists, Bioorg. Med. Chem. Lett. 3(5):855-860 (1993).
Ref 551255The rational design and synthesis of non-peptide ??hegnylogues??of CCK-26-33 - a novel series of CCK-A selective ligands, Bioorg. Med. Chem. Lett. 3(5):889-894 (1993).

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