Reaction Details Report a problem with these data
Target
Hexokinase-1
Ligand
BDBM66066
Substrate
n/a
Meas. Tech.
Dose Response confirmation of activators of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay
EC50
>80000±n/a nM
Citation
 PubChem, PC Dose Response confirmation of activators of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay PubChem Bioassay (2011)[AID] 
Target
Name:
Hexokinase-1
Synonyms:
Brain form hexokinase | HK I | HK1 | HXK1_HUMAN | Hexokinase type I | Hexokinase-1 | hexokinase-1 isoform HKI
Type:
PROTEIN
Mol. Mass.:
102488.34
Organism:
Homo sapiens (Human)
Description:
EBI_11382
Residue:
917
Sequence:
MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDDIRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTEASS
  
Inhibitor
Name:
BDBM66066
Synonyms:
(E)-3-(4-Methoxy-phenyl)-N-[N'-(pyrazine-2-carbonyl)-hydrazinocarbothioyl]-acrylamide | (E)-3-(4-methoxyphenyl)-N-[(pyrazin-2-ylcarbonylamino)carbamothioyl]prop-2-enamide | (E)-3-(4-methoxyphenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide | (E)-3-(4-methoxyphenyl)-N-[(pyrazinoylamino)thiocarbamoyl]acrylamide | (E)-3-(4-methoxyphenyl)-N-[[[oxo(2-pyrazinyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide | MLS000769398 | SMR000434132 | cid_1874139
Type:
Small organic molecule
Emp. Form.:
C16H15N5O3S
Mol. Mass.:
357.387
SMILES:
COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
Structure:
Search PDB for entries with ligand similarity: