Reaction Details Report a problem with these data
Target
Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase
Ligand
BDBM50517252
Substrate
n/a
Meas. Tech.
ChEMBL_1868728 (CHEMBL4369794)
Kd
900000±n/a nM
Citation
 Dalvit, C; Vulpetti, A Ligand-Based Fluorine NMR Screening: Principles and Applications in Drug Discovery Projects. J Med Chem 62:2218-2244 (2019) [PubMed]  Article 
Target
Name:
Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase
Synonyms:
2.7.1.60 | 3.2.1.183 | Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase | GLCNE | GLCNE_HUMAN | GNE | ManAc kinase | N-acetylmannosamine kinase | UDP-GlcNAc-2-epimerase | UDP-GlcNAc-2-epimerase/ManAc kinase | UDP-N-acetylglucosamine 2-epimerase (hydrolyzing) | Uridine diphosphate-N-acetylglucosamine-2-epimerase
Type:
PROTEIN
Mol. Mass.:
79278.83
Organism:
Homo sapiens
Description:
ChEMBL_119254
Residue:
722
Sequence:
MEKNGNNRKLRVCVATCNRADYSKLAPIMFGIKTEPEFFELDVVVLGSHLIDDYGNTYRMIEQDDFDINTRLHTIVRGEDEAAMVESVGLALVKLPDVLNRLKPDIMIVHGDRFDALALATSAALMNIRILHIEGGEVSGTIDDSIRHAITKLAHYHVCCTRSAEQHLISMCEDHDRILLAGCPSYDKLLSAKNKDYMSIIRMWLGDDVKSKDYIVALQHPVTTDIKHSIKMFELTLDALISFNKRTLVLFPNIDAGSKEMVRVMRKKGIEHHPNFRAVKHVPFDQFIQLVAHAGCMIGNSSCGVREVGAFGTPVINLGTRQIGRETGENVLHVRDADTQDKILQALHLQFGKQYPCSKIYGDGNAVPRILKFLKSIDLQEPLQKKFCFPPVKENISQDIDHILETLSALAVDLGGTNLRVAIVSMKGEIVKKYTQFNPKTYEERINLILQMCVEAAAEAVKLNCRILGVGISTGGRVNPREGIVLHSTKLIQEWNSVDLRTPLSDTLHLPVWVDNDGNCAALAERKFGQGKGLENFVTLITGTGIGGGIIHQHELIHGSSFCAAELGHLVVSLDGPDCSCGSHGCIEAYASGMALQREAKKLHDEDLLLVEGMSVPKDEAVGALHLIQAAKLGNAKAQSILRTAGTALGLGVVNILHTMNPSLVILSGVLASHYIHIVKDVIRQQALSSVQDVDVVVSDLVDPALLGAASMVLDYTTRRIY
  
Inhibitor
Name:
BDBM50517252
Synonyms:
CHEMBL4457121
Type:
Small organic molecule
Emp. Form.:
C7H4F3NO2
Mol. Mass.:
191.1074
SMILES:
OC(=O)c1cc(ccn1)C(F)(F)F
Structure:
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