Target
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Ligand
BDBM50214011
Substrate
n/a
Meas. Tech.
ChEMBL_438956 (CHEMBL889299)
IC50
2560±n/a nM
Citation
 Pietranico, SLFoley, LHHuby, NYun, WDunten, PVermeulen, JWang, PToth, KRamsey, GGubler, MLWertheimer, 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 
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:
BDBM50214011
Synonyms:
1-(2-fluorobenzyl)-8-(4-aminobenzyl)-3-butyl-1H-purine-2,6(3H,7H)-dione | CHEMBL242862
Type:
Small organic molecule
Emp. Form.:
C23H24FN5O2
Mol. Mass.:
421.4674
SMILES:
CCCCn1c2nc(Cc3ccc(N)cc3)[nH]c2c(=O)n(Cc2ccccc2F)c1=O
Structure:
Search PDB for entries with ligand similarity: