Reaction Details Report a problem with these data
Target
Casein kinase I isoform alpha
Ligand
BDBM625225
Substrate
n/a
Meas. Tech.
CSNK1A1 1uM ATP Assay
IC50
1.80±n/a nM
Citation
Schulze, V; Mengel, A; Faria Alvares De Lemos, AC; Rauh, U; Bömer, U; Hillig, R; Lechner, C; Mortier, JX; Kaulfuss, S; Corsello, S; Handing, K; Madec, A; Furst, L; Shekhar, M; McKinney, D ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF US Patent US20230322767 Publication Date 10/12/2023
More Info.:
Target
Name:
Casein kinase I isoform alpha
Synonyms:
CK1 | CKI-alpha | CSNK1A1 | Casein Kinase I | Casein kinase 1 alpha (CK1 alpha) | Casein kinase I isoform alpha/delta | KC1A_HUMAN
Type:
Serine/threonine-protein kinase
Mol. Mass.:
38936.59
Organism:
Homo sapiens (Human)
Description:
P48729
Residue:
337
Sequence:
MASSSGSKAEFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQGGVGIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKAAQQAASSSGQGQQAQTPTGKQTDKTKSNMKGF
Inhibitor
Name:
BDBM625225
Synonyms:
(+)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5′-methyl-4′-oxo-3′-phenyl-1′,4′,5′,7′-tetrahydrospiro-[cyclobutane-1,6′-pyrrolo[3,2-c]pyridin]-2′-yl)pyridin-2-yl]butanamide (Enantiomer 2) | US20230322767, Example 51
Type:
Small organic molecule
Emp. Form.:
C32H29F3N4O2
Mol. Mass.:
558.5935
SMILES:
CN1C(=O)c2c(CC11CCC1)[nH]c(c2-c1ccccc1)-c1ccnc(NC(=O)C(CC(F)F)c2ccc(F)cc2)c1