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Target
Casein kinase II subunit alpha
Ligand
BDBM50450092
Substrate
n/a
Meas. Tech.
ChEMBL_1742149 (CHEMBL4157899)
Kd
0.400000±n/a nM
Citation
 Vahter, J; Viht, K; Uri, A; Manoharan, GB; Enkvist, E Thiazole- and selenazole-comprising high-affinity inhibitors possess bright microsecond-scale photoluminescence in complex with protein kinase CK2. Bioorg Med Chem 26:5062-5068 (2018) [PubMed]  Article 
Target
Name:
Casein kinase II subunit alpha
Synonyms:
CK II | CK2 | CK2- alpha | CK2A1 | CSK21_HUMAN | CSNK2A1 | Casein kinase 2 | Casein kinase II (CK2) | Casein kinase II alpha/beta | Casein kinase II subunit alpha (CK2 alpha) | Casein kinase II subunit alpha (CK2A1) | Casein kinase II subunit alpha (CK2a I174A) | Casein kinase II subunit alpha (CK2a V66A) | Casein kinase II subunit alpha (CK2a dm V66I174AA) | Casein kinase II subunit alpha (CK2a)
Type:
Enzyme
Mol. Mass.:
45151.12
Organism:
Homo sapiens (Human)
Description:
P68400
Residue:
391
Sequence:
MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ
  
Inhibitor
Name:
BDBM50450092
Synonyms:
CHEMBL4169451
Type:
Small organic molecule
Emp. Form.:
C75H85N13O29S
Mol. Mass.:
1664.612
SMILES:
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CCCCCNC(=O)CCC(=O)Nc3ncc(s3)-c3ccc(cc3)C(O)=O)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |r,wU:68.69,52.53,36.37,24.24,wD:60.61,44.45,28.29,(52.33,-32.38,;53.68,-33.14,;53.69,-34.68,;55,-32.35,;54.98,-30.81,;56.3,-30.03,;57.64,-30.79,;58.96,-30,;58.94,-28.46,;57.59,-27.71,;57.58,-26.17,;58.91,-25.39,;60.24,-26.13,;60.27,-27.67,;61.61,-28.42,;62.69,-27.33,;62.37,-29.75,;58.89,-23.85,;60.22,-23.07,;57.55,-23.1,;57.53,-21.56,;56.19,-20.8,;56.17,-19.26,;54.83,-18.5,;54.81,-16.96,;53.47,-16.21,;52.15,-16.99,;52.16,-18.53,;50.81,-16.24,;50.79,-14.7,;52.11,-13.91,;53.46,-14.67,;52.1,-12.37,;49.48,-17.02,;48.14,-16.27,;48.12,-14.73,;46.81,-17.05,;46.83,-18.59,;48.17,-19.35,;49.5,-18.56,;48.19,-20.89,;45.47,-16.29,;44.15,-17.08,;44.16,-18.62,;42.8,-16.32,;42.79,-14.78,;44.11,-14,;45.45,-14.75,;44.1,-12.46,;41.48,-17.11,;40.14,-16.35,;40.12,-14.81,;38.81,-17.14,;38.83,-18.68,;40.17,-19.43,;41.49,-18.65,;40.19,-20.97,;37.47,-16.38,;36.14,-17.16,;36.16,-18.7,;34.8,-16.41,;34.79,-14.87,;36.11,-14.08,;37.45,-14.84,;36.09,-12.54,;33.48,-17.19,;32.13,-16.44,;32.12,-14.9,;30.81,-17.22,;30.83,-18.76,;32.17,-19.52,;33.49,-18.73,;32.18,-21.06,;29.47,-16.47,;28.14,-17.25,;28.16,-18.79,;26.8,-16.49,;25.47,-17.28,;24.13,-16.52,;22.81,-17.31,;21.47,-16.55,;20.14,-17.34,;18.8,-16.58,;18.78,-15.04,;17.47,-17.36,;16.13,-16.61,;14.81,-17.39,;14.82,-18.93,;13.46,-16.64,;12.14,-17.42,;10.89,-16.51,;9.65,-17.42,;10.12,-18.88,;11.66,-18.88,;9.33,-20.21,;7.79,-20.19,;7,-21.52,;7.76,-22.87,;9.31,-22.88,;10.09,-21.55,;6.98,-24.2,;7.74,-25.54,;5.44,-24.18,;56.14,-16.18,;57.48,-16.94,;56.12,-14.64,;60.3,-30.75,;61.61,-29.97,;62.94,-30.71,;62.97,-32.25,;61.65,-33.03,;60.31,-32.28,;58.99,-33.08,;57.65,-32.32,;56.33,-33.1,;64.31,-33,;64.33,-34.54,;65.63,-32.21,)|
Structure:
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