Reaction Details Report a problem with these data
Target
Hexokinase HKDC1 [W721R]
Ligand
BDBM80713
Substrate
n/a
Meas. Tech.
Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1)
IC50
3160±n/a nM
Citation
 PubChem, PC Dose Response confirmation of inhibitors 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:
BDBM80713
Synonyms:
MLS000707808 | N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide | N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide | N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide | N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide | SMR000243972 | cid_4831360
Type:
Small organic molecule
Emp. Form.:
C23H22ClN5O4S2
Mol. Mass.:
532.035
SMILES:
Cc1cc2nnc(SCC(=O)Nc3cc(ccc3Cl)S(=O)(=O)N3CCOCC3)n2c2ccccc12
Structure:
Search PDB for entries with ligand similarity: