Reaction Details
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Report a problem with these dataTarget
Casein kinase II subunit beta
Ligand
BDBM218893
Substrate
BDBM220103
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
476±n/a nM
Comments
extracted
Citation
Haddach, M; Tran, JA; Pierre, F; Regan, CF; Raffaele, N; Ravula, S; Ryckman, DM Pyrazolopyrimidines and related heterocycles as CK2 inhibitors US Patent US9303033 Publication Date 4/5/2016 More Info.:
Target
Name:
Casein kinase II subunit beta
Synonyms:
CK2N | CSK2B_HUMAN | CSNK2B | Casein kinase II subunit beta | Casein kinase II subunit beta (CK2 beta) | Casein kinase II subunit beta (CK2β) | G5A | Serine/threonine-protein kinase pim-2
Type:
Enzyme
Mol. Mass.:
24937.13
Organism:
Homo sapiens (Human)
Description:
P67870
Residue:
215
Sequence:
MSSSEEVSWISWFCGLRGNEFFCEVDEDYIQDKFNLTGLNEQVPHYRQALDMILDLEPDEELEDNPNQSDLIEQAAEMLYGLIHARYILTNRGIAQMLEKYQQGDFGYCPRVYCENQPMLPIGLSDIPGEAMVKLYCPKCMDVYTPKSSRHHHTDGAYFGTGFPHMLFMVHPEYRPKRPANQFVPRLYGFKIHPMAYQLQLQAASNFKSPVKTIR
Inhibitor
Name:
BDBM218893
Synonyms:
US9303033, A3, Table 10A, Compound 1 | US9303033, D3, Table 10A, Compound 4 | US9303033, P36, Table 41A, Compound 2
Type:
Small organic molecule
Emp. Form.:
C21H26N8O3
Mol. Mass.:
438.4829
SMILES:
CC(=O)N[C@H]1CCC(CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:4.3,(-8.92,4.22,;-7.59,3.45,;-6.26,4.22,;-7.59,1.91,;-6.26,1.14,;-4.92,1.91,;-3.59,1.14,;-3.59,-.4,;-4.92,-1.17,;-6.26,-.4,;-2.25,-1.17,;-.92,-.4,;-.92,1.14,;.41,1.91,;.41,3.45,;1.75,4.22,;3.29,4.22,;2.52,5.56,;1.75,1.14,;3.21,1.62,;4.12,.37,;3.21,-.87,;3.61,-2.36,;5.1,-2.76,;6.34,-1.85,;7.59,-2.76,;8.92,-1.99,;7.11,-4.22,;5.57,-4.22,;4.8,-5.56,;1.75,-.4,;.41,-1.17,)|
Structure:
Substrate
Name:
BDBM220103
Synonyms:
US9303033, RSRSSYPAGT
Type:
Peptide Substrate
Emp. Form.:
C44H77N16O15
Mol. Mass.:
1070.1798
SMILES:
CC(O)C(NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCNC(N)N)C=O |r|
Structure:
