Reaction Details
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Report a problem with these dataTarget
Casein kinase II subunit beta
Ligand
BDBM218897
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:
BDBM218897
Synonyms:
US9303033, E3, Table 10A, Compound 5 | US9303033, R36, Table 41A, Compound 4
Type:
Small organic molecule
Emp. Form.:
C20H26N8O4S
Mol. Mass.:
474.537
SMILES:
CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(NC2CC2)n2ncc(\C=C3/NC(=O)NC3=O)c2n1 |r,wU:5.4,wD:8.11,(-9.03,3.45,;-7.49,3.45,;-7.49,4.99,;-6.15,4.22,;-7.49,1.91,;-6.15,1.14,;-4.82,1.91,;-3.48,1.14,;-3.48,-.4,;-4.82,-1.17,;-6.15,-.4,;-2.15,-1.17,;-.82,-.4,;-.82,1.14,;.52,1.91,;.52,3.45,;1.85,4.22,;3.39,4.22,;2.62,5.56,;1.85,1.14,;3.31,1.62,;4.22,.37,;3.31,-.87,;3.71,-2.36,;5.2,-2.76,;6.45,-1.85,;7.69,-2.76,;9.03,-1.99,;7.22,-4.22,;5.68,-4.22,;4.91,-5.56,;1.85,-.4,;.52,-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:
