Chemical Component Summary

NameN,O-DIDANSYL-L-TYROSINE
Identifiers(2S)-2-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]-3-[4-(5-dimethylaminonaphthalen-1-yl)sulfonyloxyphenyl]propanoic acid
FormulaC33 H33 N3 O7 S2
Molecular Weight647.761
TypeNON-POLYMER
Isomeric SMILESCN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O
InChIInChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1
InChIKeyLUBOPDUYHWABFG-NDEPHWFRSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count1
Bond Count82
Aromatic Bond Count28

Drug Info: DrugBank

DrugBank IDDB03157 
NameN,O-didansyl-L-tyrosine
Groups experimental
SynonymsN,O-didansyl-L-tyrosine
Categories
  • Amino Acids
  • Amino Acids, Aromatic
  • Amino Acids, Cyclic
  • Amino Acids, Peptides, and Proteins
  • Naphthalenes

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidylate synthaseMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...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 446468
ChEMBL CHEMBL176072