Target
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
Ligand
BDBM50508547
Substrate
n/a
Meas. Tech.
ChEMBL_1833217 (CHEMBL4333225)
IC50
104±n/a nM
Citation
 Boutard, NBia?as, ASabiniarz, AGuzik, PBanaszak, KBiela, ABie?, MBuda, ABugaj, BCieluch, ECierpich, ADudek, ?Eggenweiler, HMFogt, JGaik, MGondela, AJakubiec, KJurzak, MKitli?ska, AKowalczyk, PKujawa, MKwieci?ska, KLe?, MLindemann, RMaciuszek, MMikulski, MNiedziejko, PObara, APawlik, HRzymski, TSieprawska-Lupa, MSowi?ska, MSzeremeta-Spisak, JStachowicz, ATomczyk, MMWiklik, KW?oszczak, ?Ziemia?ska, SZar?bski, ABrzózka, KNowak, MFabritius, 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:
BDBM50508547
Synonyms:
CHEMBL4526513
Type:
Small organic molecule
Emp. Form.:
C24H21N5O2S
Mol. Mass.:
443.521
SMILES:
CNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
Structure:
Search PDB for entries with ligand similarity: