JAS

JASPISAMIDE A

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	JASPISAMIDE A
Identifiers	n/a
Formula	C₄₄ H₆₄ N₄ O₁₃
Molecular Weight	856.998
Type	NON-POLYMER
Isomeric SMILES	C[C@@H]1CC\C=C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)CO)OC)OC)O)O)C)OC
InChI	InChI=1S/C44H64N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-24,26-31,37-39,42,49-51H,9,12-13,15-16,18-21,25H2,1-8H3/b14-10+,17-11+/t26-,27+,28+,29+,30+,31+,37-,38+,39+,42+/m1/s1
InChIKey	VMTDLKOWOZYTPX-RZKNNNBGSA-N

Chemical Details
Formal Charge	0
Atom Count	125
Chiral Atom Count	10
Bond Count	128
Aromatic Bond Count	17

Drug Info: DrugBank

DrugBank ID	DB03850
Name	Jaspisamide A
Groups	experimental
Synonyms	Jaspisamide A

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Actin, alpha skeletal muscle	MCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...	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