Reaction Details 
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Protein kinase C theta type
Ligand
BDBM50573016
Substrate
n/a
Meas. Tech.
ChEMBL_2118778 (CHEMBL4827844)
IC50
27±n/a nM
Citation
Papa, P; Whitefield, B; Mortensen, DS; Cashion, D; Huang, D; Torres, E; Parnes, J; Sapienza, J; Hansen, J; Correa, M; Delgado, M; Harris, R; Hegde, S; Norris, S; Bahmanyar, S; Plantevin-Krenitsky, V; Liu, Z; Leftheris, K; Kulkarni, A; Bennett, B; Hur, EM; Ringheim, G; Khambatta, G; Chan, H; Muir, J; Blease, K; Burnett, K; LeBrun, L; Morrison, L; Celeridad, M; Khattri, R; Cathers, BE Discovery of the Selective Protein Kinase C-? Kinase Inhibitor, CC-90005. J Med Chem 64:11886-11903 (2021) [PubMed] ArticleMore Info.:
Target
Name:
Protein kinase C theta type
Synonyms:
KPCT_HUMAN | PRKCQ | PRKCT | Protein kinase C theta | Protein kinase C theta type (PRKCQ) | Protein kinase C, PKC; classical/novel | nPKC-theta
Type:
Serine/threonine-protein kinase
Mol. Mass.:
81878.04
Organism:
Homo sapiens (Human)
Description:
Full-length human PKC theta (Panvera Catalog No. P2996).
Residue:
706
Sequence:
MSPFLRIGLSNFDCGSCQSCQGEAVNPYCAVLVKEYVESENGQMYIQKKPTMYPPWDSTFDAHINKGRVMQIIVKGKNVDLISETTVELYSLAERCRKNNGKTEIWLELKPQGRMLMNARYFLEMSDTKDMNEFETEGFFALHQRRGAIKQAKVHHVKCHEFTATFFPQPTFCSVCHEFVWGLNKQGYQCRQCNAAIHKKCIDKVIAKCTGSAINSRETMFHKERFKIDMPHRFKVYNYKSPTFCEHCGTLLWGLARQGLKCDACGMNVHHRCQTKVANLCGINQKLMAEALAMIESTQQARCLRDTEQIFREGPVEIGLPCSIKNEARPPCLPTPGKREPQGISWESPLDEVDKMCHLPEPELNKERPSLQIKLKIEDFILHKMLGKGSFGKVFLAEFKKTNQFFAIKALKKDVVLMDDDVECTMVEKRVLSLAWEHPFLTHMFCTFQTKENLFFVMEYLNGGDLMYHIQSCHKFDLSRATFYAAEIILGLQFLHSKGIVYRDLKLDNILLDKDGHIKIADFGMCKENMLGDAKTNTFCGTPDYIAPEILLGQKYNHSVDWWSFGVLLYEMLIGQSPFHGQDEEELFHSIRMDNPFYPRWLEKEAKDLLVKLFVREPEKRLGVRGDIRQHPLFREINWEELERKEIDPPFRPKVKSPFDCSNFDKEFLNEKPRLSFADRALINSMDQNMFRNFSFMNPGMERLIS
Inhibitor
Name:
BDBM50573016
Synonyms:
CHEMBL4876360
Type:
Small organic molecule
Emp. Form.:
C21H23F3N6O
Mol. Mass.:
432.4421
SMILES:
CNC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wU:7.10,4.3,(50.96,-14.24,;51,-12.7,;49.68,-11.9,;49.72,-10.36,;48.33,-12.64,;47.01,-11.84,;45.66,-12.58,;45.64,-14.12,;46.95,-14.92,;48.3,-14.18,;44.29,-14.87,;44.26,-16.41,;42.91,-17.15,;42.88,-18.69,;41.54,-19.44,;41.51,-20.98,;40.16,-21.72,;40.13,-23.26,;38.79,-24.01,;37.47,-23.22,;37.5,-21.68,;38.84,-20.93,;38.87,-19.38,;37.33,-19.38,;38.1,-18.05,;40.22,-18.64,;44.2,-19.49,;45.55,-18.74,;45.57,-17.2,;46.92,-16.45,;48.27,-15.71,)|
Structure:
