Reaction Details Report a problem with these data
Target
Protein kinase C theta type
Ligand
BDBM50469261
Substrate
n/a
Meas. Tech.
ChEMBL_1803798 (CHEMBL4276090)
IC50
6.4±n/a nM
Citation
 Kunikawa, S; Tanaka, A; Takasuna, Y; Tasaki, M; Chida, N A novel 2,4-diaminopyrimidine derivative as selective inhibitor of protein kinase C theta prevents allograft rejection in a rat heart transplant model. Bioorg Med Chem 26:5499-5509 (2018) [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:
BDBM50469261
Synonyms:
CHEMBL4290543
Type:
Small organic molecule
Emp. Form.:
C24H30N6
Mol. Mass.:
402.5352
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@](CNc4nc(NCc5ccccc5C)ncc4C#N)(C1)C[C@@]([H])(C2)[C@H]3N |r,TLB:5:3:30:6.27.26,THB:5:6:30:31.3.2,2:1:31.3.5:27,2:3:27:1.30.26,32:31:30:6.27.26,32:31:27:1.30.26,32:31:5.6.27:1.30.2|
Structure:
Search PDB for entries with ligand similarity: