| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Sphingosine kinase 1 |
|---|
| Ligand | BDBM50407506 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2267125 |
|---|
| Ki | >20000±n/a nM |
|---|
| Citation |  Ding, T; Zhi, Y; Xie, W; Yao, Q; Liu, B Rational design of SphK inhibitors using crystal structures aided by computer. Eur J Med Chem213:0 (2021) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Sphingosine kinase 1 |
|---|
| Name: | Sphingosine kinase 1 |
|---|
| Synonyms: | SK 1 | SPHK1_MOUSE | SPK 1 | Sk1 | Sphk1 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 42447.37 |
|---|
| Organism: | Mus musculus |
|---|
| Description: | ChEMBL_107622 |
|---|
| Residue: | 382 |
|---|
| Sequence: | MEPVECPRGLLPRPCRVLVLLNPQGGKGKALQLFQSRVQPFLEEAEITFKLILTERKNHA
RELVCAEELGHWDALAVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPGGSGNALAASV
NHYAGYEQVTNEDLLINCTLLLCRRRLSPMNLLSLHTASGLRLYSVLSLSWGFVADVDLE
SEKYRRLGEIRFTVGTFFRLASLRIYQGQLAYLPVGTVASKRPASTLVQKGPVDTHLVPL
EEPVPSHWTVVPEQDFVLVLVLLHTHLSSELFAAPMGRCEAGVMHLFYVRAGVSRAALLR
LFLAMQKGKHMELDCPYLVHVPVVAFRLEPRSQRGVFSVDGELMVCEAVQGQVHPNYLWM
VCGSRDAPSGRDSRRGPPPEEP
|
|
|
|---|
| BDBM50407506 |
|---|
| n/a |
|---|
| Name | BDBM50407506 |
|---|
| Synonyms: | CHEMBL4595333 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H30F3N5O2 |
|---|
| Mol. Mass. | 453.5011 |
|---|
| SMILES | CCCCCCCCOc1ccc(cc1C(F)(F)F)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| |
|---|
| Structure | 
|
|---|
Search and Browse
