Target
Hexokinase-2
Ligand
BDBM50169046
Substrate
n/a
Meas. Tech.
ChEMBL_1577558 (CHEMBL3807034)
IC50
130±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:
BDBM50169046
Synonyms:
CHEMBL3805459
Type:
Small organic molecule
Emp. Form.:
C16H17Cl3N2O8S3
Mol. Mass.:
567.869
SMILES:
OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 |r|
Structure:
Search PDB for entries with ligand similarity: