Reaction Details Report a problem with these data
Target
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
Ligand
BDBM50508548
Substrate
n/a
Meas. Tech.
ChEMBL_1833217 (CHEMBL4333225)
IC50
85±n/a nM
Citation
 Boutard, N; Bia?as, A; Sabiniarz, A; Guzik, P; Banaszak, K; Biela, A; Bie?, M; Buda, A; Bugaj, B; Cieluch, E; Cierpich, A; Dudek, ?; Eggenweiler, HM; Fogt, J; Gaik, M; Gondela, A; Jakubiec, K; Jurzak, M; Kitli?ska, A; Kowalczyk, P; Kujawa, M; Kwieci?ska, K; Le?, M; Lindemann, R; Maciuszek, M; Mikulski, M; Niedziejko, P; Obara, A; Pawlik, H; Rzymski, T; Sieprawska-Lupa, M; Sowi?ska, M; Szeremeta-Spisak, J; Stachowicz, A; Tomczyk, MM; Wiklik, K; W?oszczak, ?; Ziemia?ska, S; Zar?bski, A; Brzózka, K; Nowak, M; Fabritius, CH Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg Med Chem Lett 29:646-653 (2019) [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:
Homo sapiens (Human)
Description:
Q16875
Residue:
520
Sequence:
MPLELTQSRVQKIWVPVDHRPSLPRSCGPKLTNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQWKALNEIDAGVCEELTYEEIRDTYPEEYALREQDKYYYRYPTGESYQDLVQRLEPVIMELERQENVLVICHQAVLRCLLAYFLDKSAEEMPYLKCPLHTVLKLTPVAYGCRVESIYLNVESVCTHRERSEDAKKGPNPLMRRNSVTPLASPEPTKKPRINSFEEHVASTSAALPSCLPPEVPTQLPGQNMKGSRSSADSSRKH
  
Inhibitor
Name:
BDBM50508548
Synonyms:
CHEMBL4560682
Type:
Small organic molecule
Emp. Form.:
C24H20N4O2S
Mol. Mass.:
428.506
SMILES:
Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(C)(=O)=O)cc2nccnc12
Structure:
Search PDB for entries with ligand similarity: