Table of Contents

FK-506 30μM R07 exp359

Mechanism of Action

Inhibits calcineurin

Technical Notes

Protein References

  • PubChem Name: Tacrolimus
  • Synonyms: FK506; Fujimycin; FR900506
  • CAS #: 104987-11-3
  • PubChem CID: 445643
  • IUPAC: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
  • INCHI Name: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
  • INCHI Key: QJJXYPPXXYFBGM-LFZNUXCKSA-N
  • Molecular Weight: 804
  • Canonical SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
  • Isomeric SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC
  • Molecular Formula: C44H69NO12

Protein Supplier

  • Supplier Name: Toronto Research Chemicals
  • Catalog #: F370000
  • Lot #: N/A

Protein Characterization

  • HRMS (ESI-TOF) m/z: (M+Na)+ Calcd for C44H69NO12 826.4712; found 826.47365

Dose Response Curve

  • Platform ID: FK-506
  • Min: -17.1824; Max: 93.4566





IC Concentration (µM)
IC10 N/A
IC20 29.9866
IC30 31.6841
IC40 33.1471
IC50 34.5490
IC60 N/A
IC70 N/A
IC80 N/A
IC90 N/A


Screen Summary

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
21/8ScoresViewViewViewViewView