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Target
Hexokinase-2
Ligand
BDBM50512389
Substrate
n/a
Meas. Tech.
ChEMBL_1848778 (CHEMBL4349319)
IC50
>50000±n/a nM
Citation
 Wang, W; Wu, Y; Yang, K; Wu, C; Tang, R; Li, H; Chen, L Synthesis of novel andrographolide beckmann rearrangement derivatives and evaluation of their HK2-related anti-inflammatory activities. Eur J Med Chem 173:282-293 (2019) [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:
BDBM50512389
Synonyms:
CHEMBL4441499
Type:
Small organic molecule
Emp. Form.:
C26H30N2O5
Mol. Mass.:
450.5268
SMILES:
[H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CCC(=O)N[C@@]2(C)COC(=O)c1cccnc1 |r,t:9|
Structure:
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