SKF-86002   Click here for help

GtoPdb Ligand ID: 6040

Synonyms: SK&F 86002 | SKF 86002
PDB Ligand
Compound class: Synthetic organic
Comment: SKF-86002 is a potent inhibitor of p38 MAPK.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 56.01
Molecular weight 297.07
XLogP 3.87
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2
Isomeric SMILES Fc1ccc(cc1)c1nc2n(c1c1ccncc1)CCS2
InChI InChI=1S/C16H12FN3S/c17-13-3-1-11(2-4-13)14-15(12-5-7-18-8-6-12)20-9-10-21-16(20)19-14/h1-8H,9-10H2
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat Biotechnol, 29 (11): 1039-45. [PMID:22037377]
2. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem J, 451 (2): 313-28. [PMID:23398362]
3. Klüter S, Grütter C, Naqvi T, Rabiller M, Simard JR, Pawar V, Getlik M, Rauh D. (2010)
Displacement assay for the detection of stabilizers of inactive kinase conformations.
J Med Chem, 53 (1): 357-67. [PMID:19928858]