Reaction Details Report a problem with these data
Target
Hexokinase HKDC1 [W721R]
Ligand
BDBM80723
Substrate
n/a
Meas. Tech.
Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay
IC50
2500±n/a nM
Citation
 PubChem, PC Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay PubChem Bioassay (2011)[AID] 
Target
Name:
Hexokinase HKDC1 [W721R]
Synonyms:
HKDC1 | HKDC1_HUMAN | putative hexokinase HKDC1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
102520.24
Organism:
Homo sapiens (Human)
Description:
gi_156151420
Residue:
917
Sequence:
MFAVHLMAFYFSKLKEDQIKKVDRFLYHMRLSDDTLLDIMRRFRAEMEKGLAKDTNPTAAVKMLPTFVRAIPDGSENGEFLSLDLGGSKFRVLKVQVAEEGKRHVQMESQFYPTPNEIIRGNGTELFEYVADCLADFMKTKDLKHKKLPLGLTFSFPCRQTKLEEGVLLSWTKKFKARGVQDTDVVSRLTKAMRRHKDMDVDILALVNDTVGTMMTCAYDDPYCEVGVIIGTGTNACYMEDMSNIDLVEGDEGRMCINTEWGAFGDDGALEDIRTEFDRELDLGSLNPGKQLFEKMISGLYLGELVRLILLKMAKAGLLFGGEKSSALHTKGKIETRHVAAMEKYKEGLANTREILVDLGLEPSEADCIAVQHVCTIVSFRSANLCAAALAAILTRLRENKKVERLRTTVGMDGTLYKIHPQYPKRLHKVVRKLVPSCDVRFLLSESGSTKGAAMVTAVASRVQAQRKQIDRVLALFQLTREQLVDVQAKMRAELEYGLKKKSHGLATVRMLPTYVCGLPDGTEKGKFLALDLGGTNFRVLLVKIRSGRRSVRMYNKIFAIPLEIMQGTGEELFDHIVQCIADFLDYMGLKGASLPLGFTFSFPCRQMSIDKGTLIGWTKGFKATDCEGEDVVDMLREAIKRRNEFDLDIVAVVNDTVGTMMTCGYEDPNCEIGLIAGTGSNMCYMEDMRNIEMVEGGEGKMCINTEWGGFGDNGCIDDIRTRYDTEVDEGSLNPGKQRYEKMTSGMYLGEIVRQILIDLTKQGLLFRGQISERLRTRGIFETKFLSQIESDRLALLQVRRILQQLGLDSTCEDSIVVKEVCGAVSRRAAQLCGAGLAAIVEKRREDQGLEHLRITVGVDGTLYKLHPHFSRILQETVKELAPRCDVTFMLSEDGSGKGAALITAVAKRLQQAQKEN
  
Inhibitor
Name:
BDBM80723
Synonyms:
3-(4-Fluoro-phenyl)-10-methyl-2-thiophen-2-yl-3H,10H-pyrimido[4,5-b]quinoline-4,5-dione | 3-(4-fluorophenyl)-10-methyl-2-(2-thienyl)pyrimido[4,5-b]quinoline-4,5-quinone | 3-(4-fluorophenyl)-10-methyl-2-thiophen-2-yl-pyrimido[4,5-b]quinoline-4,5-dione | 3-(4-fluorophenyl)-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione | MLS000763144 | SMR000439524 | cid_1948597
Type:
Small organic molecule
Emp. Form.:
C22H14FN3O2S
Mol. Mass.:
403.429
SMILES:
Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n(-c1ccc(F)cc1)c2=O
Structure:
Search PDB for entries with ligand similarity: