Reaction Details
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Protein kinase C theta type
Ligand
BDBM50573027
Substrate
n/a
Meas. Tech.
ChEMBL_2118778 (CHEMBL4827844)
IC50
12±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] Article More 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:
BDBM50573027
Synonyms:
CHEMBL4867906
Type:
Small organic molecule
Emp. Form.:
C23H28F3N5O
Mol. Mass.:
447.4965
SMILES:
CC1(C)C[C@@H](CC(C)(C)[C@@H]1O)Nc1cc(NCc2cnccc2C(F)(F)F)ncc1C#N |r,wD:9.10,4.11,(16.5,-7.5,;15.98,-6.06,;17.5,-5.78,;14.65,-6.83,;13.31,-6.06,;13.31,-4.52,;14.65,-3.75,;15.63,-2.56,;13.65,-2.57,;15.98,-4.52,;17.31,-3.74,;11.98,-6.83,;11.98,-8.37,;10.65,-9.14,;10.65,-10.68,;9.32,-11.45,;9.32,-12.99,;7.98,-13.75,;7.98,-15.29,;6.64,-16.06,;5.32,-15.29,;5.32,-13.75,;6.64,-12.98,;6.64,-11.44,;5.15,-11.04,;6.25,-9.95,;7.98,-10.67,;11.98,-11.45,;13.32,-10.68,;13.32,-9.14,;14.65,-8.37,;15.98,-7.6,)|
Structure:
