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Target
Protein kinase C theta type
Ligand
BDBM50240302
Substrate
n/a
Meas. Tech.
ChEMBL_1668070 (CHEMBL4017958)
IC50
33±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:
BDBM50240302
Synonyms:
CHEMBL4101327
Type:
Small organic molecule
Emp. Form.:
C22H21ClN6O2
Mol. Mass.:
436.894
SMILES:
COc1ccnc2[nH]c(=O)n(-c3nc(ccc3Cl)N3CCNC(C3)c3ccccc3)c12 |(10.07,-36.43,;9.04,-35.28,;7.54,-35.6,;7.06,-37.06,;5.55,-37.38,;4.53,-36.23,;5.01,-34.77,;4.24,-33.45,;5.27,-32.3,;4.95,-30.79,;6.67,-32.93,;8.01,-32.16,;9.34,-32.93,;10.68,-32.16,;10.67,-30.61,;9.34,-29.84,;8.01,-30.62,;6.67,-29.85,;12.02,-32.93,;13.34,-32.15,;14.68,-32.93,;14.68,-34.47,;13.34,-35.24,;12.01,-34.47,;13.34,-36.77,;12,-37.54,;12,-39.08,;13.33,-39.86,;14.67,-39.08,;14.67,-37.54,;6.52,-34.46,)|
Structure:
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