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Target
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Ligand
BDBM50214009
Substrate
n/a
Meas. Tech.
ChEMBL_438956 (CHEMBL889299)
IC50
960±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 
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:
BDBM50214009
Synonyms:
3-(cyclopropylmethyl)-8-({4-[(dimethylsulfamoyl)amino]phenyl}methyl)-1-[(2-fluorophenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione | CHEMBL244802
Type:
Small organic molecule
Emp. Form.:
C25H27FN6O4S
Mol. Mass.:
526.583
SMILES:
CN(C)S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Structure:
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