Drug General Information
Drug ID
D0M6ZF
Former ID
DNC012748
Drug Name
Boc-Asp-Tyr(So3-)-Nle-Gly-Trp-Asp-Phe-NH2
Indication Discovery agent Investigative [532617]
Structure
Download
2D MOL

3D MOL

Formula
C55H72N10O18S
Canonical SMILES
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)NC(=O)C(CCCC)NC(=O)C(CC4=CC<br />=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
InChI
1S/C55H72N10O18S/c1-6-8-18-37(47(71)62-42(28-44(66)67)51(75)60-39(46(56)70)25-31-15-11-10-12-16-31)58-50(74)41(27-33-30-57-36-20-14-13-17-35(33)36)63-53(77)65-48(72)38(19-9-7-2)59-49(73)40(26-32-21-23-34(24-22-32)83-84(79,80)81)61-52(76)43(29-45(68)69)64-54(78)82-55(3,4)5/h10-17,20-24,30,37-43,57H,6-9,18-19,25-29H2,1-5H3,(H2,56,70)(H,58,74)(H,59,73)(H,60,75)(H,61,76)(H,62,71)(H,64,78)(H,66,67)(H,68,69)(H,79,80,81)(H2,63,65,72,77)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
LWZREZWAQQSATC-NKUVHBIJSA-N
PubChem Compound ID
Target and Pathway
Target(s) Gastrin/cholecystokinin type B receptor Target Info Inhibitor [532617]
Cholecystokinin receptor type A Target Info Inhibitor [532617]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04020:Calcium signaling pathway
Insulin secretion
Pancreatic secretion
PANTHER Pathway CCKR signaling map ST
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPKR-HSA-375276:Peptide ligand-binding receptors
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Secretion of Hydrochloric Acid in Parietal Cells
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 532617J Med Chem. 1987 Aug;30(8):1366-73.Synthesis and biological activities of pseudopeptide analogues of the C-terminal heptapeptide of cholecystokinin. On the importance of the peptide bonds.
Ref 532617J Med Chem. 1987 Aug;30(8):1366-73.Synthesis and biological activities of pseudopeptide analogues of the C-terminal heptapeptide of cholecystokinin. On the importance of the peptide bonds.

If you find any error in data or bug in web service, please kindly report it to Dr. Wang and Dr. Li.