Reaction Details Report a problem with these data
Target
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
Ligand
BDBM50445947
Substrate
n/a
Meas. Tech.
ChEMBL_1286130 (CHEMBL3106987)
IC50
>1000000±n/a nM
Citation
 Brooke, DG; van Dam, EM; Watts, CK; Khoury, A; Dziadek, MA; Brooks, H; Graham, LJ; Flanagan, JU; Denny, WA Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3). Bioorg Med Chem 22:1029-39 (2014) [PubMed]  Article 
Target
Name:
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
Synonyms:
6-phosphofructo-2-kinase | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) | 6PF-2-K/Fru-2,6-P2ase 3 | 6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme | F263_HUMAN | Fructose-2,6-bisphosphatase | PFK/FBPase 3 | PFKFB3 | Renal carcinoma antigen NY-REN-56 | iPFK-2
Type:
Enzyme
Mol. Mass.:
59620.59
Organism:
Human
Description:
Q16875
Residue:
520
Sequence:
MPLELTQSRVQKIWVPVDHRPSLPRSCGPKLTNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQWKALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDLVQRLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHTVLKLTPVAYGCRVESIYLNVESVCTHRERSEDAKKGPNPLMRRNSVTPLASPEPTKKPRINSFEEHVASTSAALPSCLPPEVPTQLPGQNMKGSRSSADSSRKH
  
Inhibitor
Name:
BDBM50445947
Synonyms:
CHEMBL3105837
Type:
Small organic molecule
Emp. Form.:
C18H12N2O
Mol. Mass.:
272.3007
SMILES:
O=C(c1cc2c(ccc3ccccc23)[nH]1)c1ccncc1
Structure:
Search PDB for entries with ligand similarity: