Target
Hexokinase HKDC1 [W721R]
Ligand
BDBM47938
Substrate
n/a
Meas. Tech.
Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1)
IC50
3350±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:
BDBM47938
Synonyms:
(4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-methoxy-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylic acid methyl ester | (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)-4'-spiro[fluorene-9,3'-pyrazolidine]carboxylic acid methyl ester | MLS000550560 | SMR000113937 | cid_6552076 | methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxidanylidene-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate | methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate | methyl 1-(4-chlorophenyl)-2-cyano-4-(2-methoxy-2-oxoethyl)spiro[pyrazolidine-5,9'-(9'H)-fluorene]-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C27H22ClN3O4
Mol. Mass.:
487.934
SMILES:
COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: