Reaction Details Report a problem with these data
Target
Hexokinase HKDC1 [W721R]
Ligand
BDBM50600
Substrate
n/a
Meas. Tech.
Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay
IC50
10200±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:
BDBM50600
Synonyms:
MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-diketo-2-naphthyl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-cyclohexylacetamide | N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-cyclohexylacetamide | N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-cyclohexyl-ethanamide | SMR000426871 | cid_282594
Type:
Small organic molecule
Emp. Form.:
C18H18ClNO3
Mol. Mass.:
331.793
SMILES:
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
Structure:
Search PDB for entries with ligand similarity: