Reaction Details Report a problem with these data
Target
Hexokinase HKDC1 [W721R]
Ligand
BDBM80801
Substrate
n/a
Meas. Tech.
Dose Response confirmation of activators of hexokinase domain containing I (HKDC1)
EC50
>80000±n/a nM
Citation
 PubChem, PC Dose Response confirmation of activators of hexokinase domain containing I (HKDC1) 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:
BDBM80801
Synonyms:
8-[2-[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione | 8-[2-[(Z)-[1-cyclohexyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione | 8-[N'-[(Z)-(1-cyclohexyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]hydrazino]-1,3,7-trimethyl-xanthine | 8-[[(Z)-(1-cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]hydrazo]-1,3,7-trimethylpurine-2,6-dione | 8-{N'-[1-Cyclohexyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-(5Z)-ylidenemethyl]-hydrazino}-1,3,7-trimeth yl-3,7-dihydro-purine-2,6-dione | MLS000332932 | SMR000436223 | cid_16682249
Type:
Small organic molecule
Emp. Form.:
C19H24N8O4S
Mol. Mass.:
460.51
SMILES:
Cn1c(NNC=C2C(=O)NC(=S)N(C3CCCCC3)C2=O)nc2n(C)c(=O)n(C)c(=O)c12 |w:5.4|
Structure:
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