Reaction Details Report a problem with these data
Target
Sphingosine kinase 2
Ligand
BDBM50359976
Substrate
n/a
Meas. Tech.
ChEMBL_792466 (CHEMBL1929796)
Ki
8000±n/a nM
Citation
 Raje, MR; Knott, K; Kharel, Y; Bissel, P; Lynch, KR; Santos, WL Design, synthesis and biological activity of sphingosine kinase 2 selective inhibitors. Bioorg Med Chem 20:183-94 (2011) [PubMed]  Article 
Target
Name:
Sphingosine kinase 2
Synonyms:
SK 2 | SPHK2_MOUSE | SPK 2 | Sphingosine kinase 2 | Sphingosine kinase 2 (SPHK2) | Sphk2
Type:
Enzyme
Mol. Mass.:
65617.92
Organism:
Mus musculus (Mouse)
Description:
Q9JIA7
Residue:
617
Sequence:
MAPPPLLPVAASTPILHGEFGSYPANGPRFALTLTTQALHIQRLRPKPEARPRDGLVSLDEVSGCGTLQSRSPEDTAAYFCIYTYPRGRRGGRRRATRTFRADGATTYEENRAEAQRWATALTCLLRGVPLSGDQEITPELLPRKPRLLILVNPFGGRGLAWQRCMDHVVPMISEAGLSFNLIQTERQNHARELVQGLSLSEWEGIVTVSGDGLLYEVLNGLLDRPDWEDAVRMPIGVLPCGSGNALAGAVNHHGGFEQVVGVDLLLNCSLLLCRGGSHPLDLLSVTLASGSRCFSFLSVAWGFLSDVDIHSERFRALGSARFTLGAVLGLASLHTYRGRLSYLPATTEPALPIPGHSLPRAKSELVLAPAPAPAATHSPLHRSVSDLPLPLPQPALVSPGSPEPLPDLSLNGGGPELTGDWGGAGDAPLSPDPLLPSSPNALKTAQLSPIAEGPPEMPASSGFLPPTHSAPEASTWGPVDHLLPPLGSPLPQDWVTIEGEFVLMLGILPSHLCADLMAAPHARFDDGVVHLCWVRSGISRAALLRILLAMEHGNHFSLGCPHLGYAAARAFRLEPLTPRGLLTVDGELVEYGPIQAQVHPGLATLLTGPAGQKPQA
  
Inhibitor
Name:
BDBM50359976
Synonyms:
CHEMBL1927588
Type:
Small organic molecule
Emp. Form.:
C23H40N
Mol. Mass.:
330.5699
SMILES:
CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)C |r,wU:14.14,wD:17.21,(-6.9,-36.2,;-5.57,-36.97,;-5.57,-38.51,;-4.24,-39.28,;-4.24,-40.82,;-2.91,-41.59,;-2.91,-43.13,;-1.57,-43.89,;-.24,-43.13,;1.09,-43.89,;2.43,-43.13,;2.43,-41.59,;1.09,-40.82,;-.24,-41.59,;3.75,-40.82,;3.75,-39.28,;5.09,-38.51,;6.42,-39.28,;6.42,-40.82,;5.09,-41.59,;7.75,-38.51,;9.08,-39.28,;7.75,-36.97,;9.07,-37.73,)|
Structure:
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