Reaction Details Report a problem with these data
Target
Hexokinase-1
Ligand
BDBM80809
Substrate
n/a
Meas. Tech.
Dose Response confirmation of activators of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay
EC50
14200±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:
BDBM80809
Synonyms:
3-[1-methyl-5-[(1-methyl-5-pyridin-3-yl-pyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine | 3-[1-methyl-5-[(1-methyl-5-pyridin-3-ylpyrrol-2-yl)disulfanyl]pyrrol-2-yl]pyridine | 3-[1-methyl-5-[[1-methyl-5-(3-pyridinyl)-2-pyrrolyl]disulfanyl]-2-pyrrolyl]pyridine | 3-[1-methyl-5-[[1-methyl-5-(3-pyridyl)pyrrol-2-yl]disulfanyl]pyrrol-2-yl]pyridine | MLS002637680 | SMR001547203 | cid_220466
Type:
Small organic molecule
Emp. Form.:
C20H18N4S2
Mol. Mass.:
378.514
SMILES:
Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: