Reaction Details
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Protein kinase C theta type
Ligand
BDBM50573014
Substrate
n/a
Meas. Tech.
ChEMBL_2118778 (CHEMBL4827844)
IC50
20±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:
BDBM50573014
Synonyms:
CHEMBL4858914
Type:
Small organic molecule
Emp. Form.:
C21H22F3N5O
Mol. Mass.:
417.4275
SMILES:
NC(=O)[C@@H]1CC[C@@H](CC1)Nc1cc(NCc2ccccc2C(F)(F)F)ncc1C#N |r,wU:6.9,3.2,(23.15,-9.78,;21.84,-8.98,;21.87,-7.44,;20.49,-9.72,;19.17,-8.92,;17.81,-9.66,;17.79,-11.2,;19.1,-12,;20.45,-11.26,;16.44,-11.94,;16.41,-13.48,;15.06,-14.22,;15.04,-15.76,;13.69,-16.51,;13.66,-18.05,;12.31,-18.79,;12.29,-20.33,;10.94,-21.08,;9.62,-20.29,;9.65,-18.75,;11,-18,;11.02,-16.46,;9.48,-16.46,;10.25,-15.13,;12.37,-15.72,;16.35,-16.56,;17.7,-15.81,;17.73,-14.27,;19.08,-13.53,;20.43,-12.78,)|
Structure:
