| Reaction Details |
|---|
 | Report a problem with these data |
| Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
|---|
| Ligand | BDBM50217002 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_160230 (CHEMBL764813) |
|---|
| IC50 | 56000±n/a nM |
|---|
| Citation |  Aicher, TD; Damon, RE; Koletar, J; Vinluan, CC; Brand, LJ; Gao, J; Shetty, SS; Kaplan, EL; Mann, WR Triterpene and diterpene inhibitors of pyruvate dehydrogenase kinase (PDK). Bioorg Med Chem Lett9:2223-8 (1999) [PubMed] |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
|---|
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
|---|
| Synonyms: | Pyruvate dehydrogenase kinase |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 160230 |
|---|
| Components: | This complex has 4 components. |
|---|
| Component 1 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
|---|
| Synonyms: | PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 49255.23 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Q15118 |
|---|
| Residue: | 436 |
|---|
| Sequence: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
|
|
|
|---|
| Component 2 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial |
|---|
| Synonyms: | PDHK4 | PDK4 | PDK4_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 4 (PDK4) | Pyruvate dehydrogenase kinase isoform 4 |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 46469.71 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Q16654 |
|---|
| Residue: | 411 |
|---|
| Sequence: | MKAARFVLRSAGSLNGAGLVPREVEHFSRYSPSPLSMKQLLDFGSENACERTSFAFLRQE
LPVRLANILKEIDILPTQLVNTSSVQLVKSWYIQSLMDLVEFHEKSPDDQKALSDFVDTL
IKVRNRHHNVVPTMAQGIIEYKDACTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIF
SDSQTGNPSHIGSIDPNCDVVAVVQDAFECSRMLCDQYYLSSPELKLTQVNGKFPDQPIH
IVYVPSHLHHMLFELFKNAMRATVEHQENQPSLTPIEVIVVLGKEDLTIKISDRGGGVPL
RIIDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSLSGYGTDA
IIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSREPKNLAKEVAM
|
|
|
|---|
| Component 3 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial |
|---|
| Synonyms: | PDHK2 | PDK2 | PDK2_HUMAN | Pyruvate dehydrogenase kinase 2 (PDK2) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK2) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 46153.78 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Q15119 |
|---|
| Residue: | 407 |
|---|
| Sequence: | MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVR
LANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIR
NRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGST
NPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVY
VPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKI
ERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYL
KALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS
|
|
|
|---|
| Component 4 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
|---|
| Synonyms: | PDHK3 | PDK3 | PDK3_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 3 (PDK3) | Pyruvate dehydrogenase kinase isoform 3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 46944.89 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Q15120 |
|---|
| Residue: | 406 |
|---|
| Sequence: | MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
|
|
|
|---|
| BDBM50217002 |
|---|
| n/a |
|---|
| Name | BDBM50217002 |
|---|
| Synonyms: | CHEMBL305511 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H29NO3 |
|---|
| Mol. Mass. | 331.4492 |
|---|
| SMILES | [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/CC(O)=O |c:18| |
|---|
| Structure | 
|
|---|
Search and Browse
