Drug Information

Drug General Information
Drug ID
D08EBV
Former ID
DNC006107
Drug Name
C[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-Ile-Pro]
Indication Discovery agent Investigative [527997]
Structure
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2D MOL

3D MOL
Formula
C63H84N16O14
Canonical SMILES
CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=<br />O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC3=CNC4=CC=<br />CC=C43)CCCN=C(N)N)CC5=CC=CC=C5)CC6=CN=CN6)C(C)O)CC7=CC=<br />C(C=C7)O)CO
InChI
1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1
InChIKey
FTGJNWCPPLBYMR-VTQDGRDPSA-N
PubChem Compound ID
44406905
Target and Pathway
Target(s) Melanocortin-4 receptor Target Info Inhibitor [527997]
KEGG Pathway Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.
Ref 527997J Med Chem. 2006 Feb 9;49(3):911-22.Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.

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