Reaction Details Report a problem with these data
Target
Casein kinase I isoform alpha
Ligand
BDBM7533
Substrate
Casein
Meas. Tech.
Kinase Inhibition Assay
pH
7.2±n/a
Temperature
303.15±n/a K
IC50
100000±n/a nM
Citation
 Tang, L; Li, MH; Cao, P; Wang, F; Chang, WR; Bach, S; Reinhardt, J; Ferandin, Y; Galons, H; Wan, Y; Gray, N; Meijer, L; Jiang, T; Liang, DC Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives. J Biol Chem 280:31220-9 (2005) [PubMed]  Article 
Target
Name:
Casein kinase I isoform alpha
Synonyms:
CK1 | CKI-alpha | Casein Kinase I | Csnk1a1 | KC1A_RAT
Type:
Enzyme
Mol. Mass.:
37514.97
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
325
Sequence:
MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQGKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGF
  
Inhibitor
Name:
BDBM7533
Synonyms:
(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol | (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol | (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol | (R)-Roscovitine | 2,6,9-Trisubstituted purine deriv. 28 | CHEMBL14762 | CYC-202 | Roscovitine | cid_160355
Type:
Small organic molecule
Emp. Form.:
C19H26N6O
Mol. Mass.:
354.4493
SMILES:
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Casein
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
20807.68
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
177
Sequence:
MRLLILTCLVAVALARPKLPLRYPERLQNPSESSEPIPLESREEYMNGMNRQRNILREKQTDEIKDTRNESTQNCVVAESEKMESSISSSSEEQFCRLNEYNQLQLQAAHAQEQIRRMNENSHVQVPFQQLNQLAAYPYAVWYYPQIMQYVPFPPFSDISNPTAHENYEKNNVMLQW