Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Ligand
BDBM50214005
Substrate
n/a
Meas. Tech.
ChEMBL_438956 (CHEMBL889299)
IC50
8700±n/a nM
Citation
Pietranico, SL; Foley, LH; Huby, N; Yun, W; Dunten, P; Vermeulen, J; Wang, P; Toth, K; Ramsey, G; Gubler, ML; Wertheimer, SJ C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase. Bioorg Med Chem Lett 17:3835-9 (2007) [PubMed] Article More Info.:
Target
Name:
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Synonyms:
PCK1 | PCKGC_HUMAN | PEPCK1 | Phosphoenolpyruvate carboxykinase cytosolic
Type:
PROTEIN
Mol. Mass.:
69189.74
Organism:
Homo sapiens (Human)
Description:
ChEMBL_438956
Residue:
622
Sequence:
MPPQLQNGLNLSAKVVQGSLDSLPQAVREFLENNAELCQPDHIHICDGSEEENGRLLGQMEEEGILRRLKKYDNCWLALTDPRDVARIESKTVIVTQEQRDTVPIPKTGLSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGSPLSKIGIELTDSPYVVASMRIMTRMGTPVLEAVGDGEFVKCLHSVGCPLPLQKPLVNNWPCNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRMASRLAKEEGWLAEHMLILGITNPEGEKKYLAAAFPSACGKTNLAMMNPSLPGWKVECVGDDIAWMKFDAQGHLRAINPENGFFGVAPGTSVKTNPNAIKTIQKNTIFTNVAETSDGGVYWEGIDEPLASGVTITSWKNKEWSSEDGEPCAHPNSRFCTPASQCPIIDAAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHGVFVGAAMRSEATAAAEHKGKIIMHDPFAMRPFFGYNFGKYLAHWLSMAQHPAAKLPKIFHVNWFRKDKEGKFLWPGFGENSRVLEWMFNRIDGKASTKLTPIGYIPKEDALNLKGLGHINMMELFSISKEFWEKEVEDIEKYLEDQVNADLPCEIEREILALKQRISQM
Inhibitor
Name:
BDBM50214005
Synonyms:
CHEMBL242437 | N-{3-acetylamino-4-[3-butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-acetamide
Type:
Small organic molecule
Emp. Form.:
C27H29FN6O4
Mol. Mass.:
520.5554
SMILES:
CCCCn1c2nc(Cc3ccc(NC(C)=O)cc3NC(C)=O)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Structure:
