Reaction Details Report a problem with these data
Target
Hexokinase-1
Ligand
BDBM60234
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:
BDBM60234
Synonyms:
(1E)-N-(2,4-dichloroanilino)-2-keto-thiopropionimidic acid 8-quinolyl ester | MLS000586062 | N-(2,4-dichloroanilino)-2-keto-thiopropionimidic acid 8-quinolyl ester | N-(2,4-dichloroanilino)-2-oxopropanimidothioic acid 8-quinolinyl ester | SMR000204425 | cid_3901921 | quinolin-8-yl (1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate | quinolin-8-yl N-(2,4-dichloroanilino)-2-oxopropanimidothioate | quinolin-8-yl N-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-propanimidothioate
Type:
Small organic molecule
Emp. Form.:
C18H13Cl2N3OS
Mol. Mass.:
390.286
SMILES:
CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|
Structure:
Search PDB for entries with ligand similarity: