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Target
Protein kinase C theta type
Ligand
BDBM50240299
Substrate
n/a
Meas. Tech.
ChEMBL_1668070 (CHEMBL4017958)
IC50
100±n/a nM
Citation
 Katoh, T; Tomata, Y; Setoh, M; Sasaki, S; Takai, T; Yoshitomi, Y; Yukawa, T; Nakagawa, H; Fukumoto, S; Tsukamoto, T; Nakada, Y Practical application of 3-substituted-2,6-difluoropyridines in drug discovery: Facile synthesis of novel protein kinase C theta inhibitors. Bioorg Med Chem Lett 27:2497-2501 (2017) [PubMed]  Article
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:
BDBM50240299
Synonyms:
CHEMBL4071874
Type:
Small organic molecule
Emp. Form.:
C16H17FN6O
Mol. Mass.:
328.3442
SMILES:
Fc1ccc(nc1-n1c2cccnc2[nH]c1=O)N1CCCNCC1 |(26.29,-15.27,;27.62,-16.04,;28.95,-15.27,;30.29,-16.03,;30.29,-17.58,;28.96,-18.35,;27.62,-17.58,;26.29,-18.35,;26.13,-19.88,;27.15,-21.02,;26.68,-22.47,;25.17,-22.79,;24.15,-21.65,;24.63,-20.19,;23.86,-18.87,;24.89,-17.72,;24.57,-16.22,;31.63,-18.35,;31.51,-19.89,;32.65,-20.93,;34.17,-20.69,;34.94,-19.36,;34.36,-17.93,;32.89,-17.48,)|
Structure:
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