Target
Hexokinase-2
Ligand
BDBM50169039
Substrate
n/a
Meas. Tech.
ChEMBL_1577558 (CHEMBL3807034)
IC50
40±n/a nM
Citation
 Lin, HZeng, JXie, RSchulz, MJTedesco, RQu, JErhard, KFMack, JFRaha, KRendina, ARSzewczuk, LMKratz, PMJurewicz, AJCecconie, TMartens, SMcDevitt, PJMartin, JDChen, SBJiang, YNickels, LSchwartz, BJSmallwood, AZhao, BCampobasso, NQian, YBriand, JRominger, CMOleykowski, CHardwicke, MALuengo, JI Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. ACS Med Chem Lett 7:217-22 (2016) [PubMed]  Article 
Target
Name:
Hexokinase-2
Synonyms:
HK II | HK2 | HXK2_HUMAN | Hexokinase type II | Hexokinase-2 | Muscle form hexokinase
Type:
PROTEIN
Mol. Mass.:
102369.70
Organism:
Homo sapiens (Human)
Description:
ChEMBL_11422
Residue:
917
Sequence:
MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR
  
Inhibitor
Name:
BDBM50169039
Synonyms:
CHEMBL3806132
Type:
Small organic molecule
Emp. Form.:
C17H17Cl3N2O7S2
Mol. Mass.:
531.815
SMILES:
OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1ccc(Cl)s1 |r|
Structure:
Search PDB for entries with ligand similarity: