GDM

GELDANAMYCIN


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Chemical Component Summary

NameGELDANAMYCIN
Identifiers[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6-hydroxy-5,11,21-trimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
FormulaC29 H40 N2 O9
Molecular Weight560.636
TypeNON-POLYMER
Isomeric SMILESC[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC
InChIInChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKeyQTQAWLPCGQOSGP-KSRBKZBZSA-N

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count6
Bond Count81
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02424 
NameGeldanamycin
Groups
  • investigational
  • experimental
SynonymsGeldanamycin
Categories
  • Amides
  • Anti-Infective Agents
  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Cysteine Proteinase Inhibitors
CAS number30562-34-6

Drug Targets

NameTarget SequencePharmacological ActionActions
EndoplasminMRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQ...unknowninhibitor
Heat shock protein HSP 90-alphaMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELIS...unknown
Heat shock protein HSP 90-betaMPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDA...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
Pharos CHEMBL278315
PubChem 5288382
ChEMBL CHEMBL278315
ChEBI CHEBI:91381, CHEBI:5292
CCDC/CSD GUTVOJ, GUTVOJ01