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Target
Casein kinase I delta/epsilon
Ligand
BDBM50580886
Substrate
n/a
Meas. Tech.
ChEMBL_2149257 (CHEMBL5033655)
IC50
>10000±n/a nM
Citation
 Choudhary, BS; Sukanya, na; Mehta, P; Bach, S; Ruchaud, S; Robert, T; Josselin, B; Filipek, S; Malik, R Discovery of thiazolidin-4-one analogue as selective GSK-3? inhibitor through structure based virtual screening. Bioorg Med Chem Lett 52:0 (2021) [PubMed]  Article 
Target
Name:
Casein kinase I delta/epsilon
Synonyms:
Casein kinase I isoform delta/epsilon
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2149257
Components:
This complex has 2 components.
Component 1
Name:
Casein kinase I isoform delta
Synonyms:
CKI-delta | CKId | CSNK1D | Casein kinase 1 delta (CK1δ) | Casein kinase I delta | Casein kinase I isoform alpha/delta | Casein kinase I isoform delta (CK1D) | HCKID | KC1D_HUMAN | casein kinases 1 delta (CK1 delta)
Type:
Enzyme
Mol. Mass.:
47356.76
Organism:
Homo sapiens (Human)
Description:
P48730
Residue:
415
Sequence:
MELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLKFGASRAADDAERERRDREERLRHSRNPATRGLPSTASGRLRGTQEVAPPTPLTPTSHTANTSPRPVSGMERERKVSMRLHRGAPVNISSSDLTGRQDTSRMSTSQIPGRVASSGLQSVVHR
  
Component 2
Name:
Casein kinase I isoform epsilon
Synonyms:
Axin-1/Casein kinase I epsilon | CKI-epsilon | CKIe | CSNK1E | Casein kinase 1 epsilon (CK1Ɛ) | Casein kinase I epsilon | Casein kinase I isoform epsilon (CK1 epsilon) | Casein kinase I isoform epsilon (CK1E) | Casein kinase I isoform epsilon (CK1epsilon) | KC1E_HUMAN
Type:
Protein
Mol. Mass.:
47340.25
Organism:
Homo sapiens (Human)
Description:
P49674
Residue:
416
Sequence:
MELRVGNKYRLGRKIGSGSFGDIYLGANIASGEEVAIKLECVKTKHPQLHIESKFYKMMQGGVGIPSIKWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFSTYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLKFGAARNPEDVDRERREHEREERMGQLRGSATRALPPGPPTGATANRLRSAAEPVASTPASRIQPAGNTSPRAISRVDRERKVSMRLHRGAPANVSSSDLTGRQEVSRIPASQTSVPFDHLGK
  
Inhibitor
Name:
BDBM50580886
Synonyms:
CHEMBL5083646
Type:
Small organic molecule
Emp. Form.:
C30H26N2O3S
Mol. Mass.:
494.604
SMILES:
COc1cc(\C=C2/S\C(NC2=O)=N\c2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: