Reaction Details Report a problem with these data
Target
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Ligand
BDBM50214007
Substrate
n/a
Meas. Tech.
ChEMBL_438958 (CHEMBL889301)
EC50
5570±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:
Cytosolic phosphoenolpyruvate carboxykinase (cPEPCK) | PCKGC_RAT | PEPCK-C | Pck1 | Phosphoenolpyruvate carboxykinase (PEPCK) | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | Phosphoenolpyruvate carboxylase
Type:
Protein
Mol. Mass.:
69414.48
Organism:
Rattus norvegicus (Rat)
Description:
n/a
Residue:
622
Sequence:
MPPQLHNGLDFSAKVIQGSLDSLPQEVRKFVEGNAQLCQPEYIHICDGSEEEYGRLLAHMQEEGVIRKLKKYDNCWLALTDPRDVARIESKTVIITQEQRDTVPIPKSGQSQLGRWMSEEDFEKAFNARFPGCMKGRTMYVIPFSMGPLGSPLAKIGIELTDSPYVVASMRIMTRMGTSVLEALGDGEFIKCLHSVGCPLPLKKPLVNNWACNPELTLIAHLPDRREIISFGSGYGGNSLLGKKCFALRIASRLAKEEGWLAEHMLILGITNPEGKKKYLAAAFPSACGKTNLAMMNPTLPGWKVECVGDDIAWMKFDAQGNLRAINPENGFFGVAPGTSVKTNPNAIKTIQKNTIFTNVAETSDGGVYWEGIDEPLAPGVTITSWKNKEWRPQDEEPCAHPNSRFCTPASQCPIIDPAWESPEGVPIEGIIFGGRRPAGVPLVYEALSWQHGVFVGAAMRSEATAAAEHKGKVIMHDPFAMRPFFGYNFGKYLAHWLSMAHRPAAKLPKIFHVNWFRKDKNGKFLWPGFGENSRVLEWMFGRIEGEDSAKLTPIGYVPKEDALNLKGLGDVNVEELFGISKEFWEKEVEEIDKYLEDQVNADLPYEIERELRALKQRISQM
  
Inhibitor
Name:
BDBM50214007
Synonyms:
CHEMBL394621 | N-(4-((1-(2-fluorobenzyl)-3-(cyclopropylmethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C28H28FN7O4S
Mol. Mass.:
577.63
SMILES:
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cc2nc3n(CC4CC4)c(=O)n(Cc4ccccc4F)c(=O)c3[nH]2)cc1
Structure:
Search PDB for entries with ligand similarity: