PRD_000213

motuporin

PRD_000213 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1EVC.

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Chemical Component Summary

Namemotuporin
Identifiers(2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentakis(oxidanylidene)-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
FormulaC40 H57 N5 O10
Molecular Weight767.908
TypePEPTIDE-LIKE
Isomeric SMILESC/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C)C(C)C)C)C(=O)O
InChIInChI=1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10-/t24-,25-,26-,28-,29+,31-,33-,34+/m0/s1
InChIKeyGIRIHYQVGVTBIP-NJYUBDSESA-N
CompositionPolymer Sequences: ACB-VAL-1ZN-FGA-MDH
BIRD classTOXIN
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count112
Chiral Atom Count8
Bond Count113
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04738 
NameMotuporin
Groups experimental
DescriptionMotuporin is a toxin isolated from the marine sponge Thenonella swinhoie grey.
Synonyms
  • Motuporin
  • Nodularin V
  • (-)-Motuporin
Categories
  • Amino Acids, Peptides, and Proteins
  • Cytotoxins
  • Peptides
CAS number141672-08-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Serine/threonine-protein phosphatase PP1-gamma catalytic subunitMADLDKLNIDSIIQRLLEVRGSKPGKNVQLQENEIRGLCLKSREIFLSQP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 4369034
ChEMBL CHEMBL430145