Target
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
Ligand
BDBM50508533
Substrate
n/a
Meas. Tech.
ChEMBL_1833217 (CHEMBL4333225)
IC50
105±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:
BDBM50508533
Synonyms:
CHEMBL4582425
Type:
Small organic molecule
Emp. Form.:
C29H27N7O2
Mol. Mass.:
505.5704
SMILES:
CC(=O)N1CCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
Structure:
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