| Reaction Details |
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 | Report a problem with these data |
| Target | Hexokinase-2 |
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| Ligand | BDBM50512398 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1848778 (CHEMBL4349319) |
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| IC50 | >50000±n/a nM |
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| 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 Chem173:282-293 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Hexokinase-2 |
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| Name: | Hexokinase-2 |
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| Synonyms: | HK II | HK2 | HXK2_HUMAN | Hexokinase type II | Hexokinase-2 | Muscle form hexokinase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 102369.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_11422 |
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| Residue: | 917 |
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| Sequence: | MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAA
VKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMR
GSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGV
EGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYME
EMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGM
YMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLG
LDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKH
PHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLS
HDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRV
LLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGF
TFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVG
TMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDD
FRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRG
IFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAA
VVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKG
AALITAVACRIREAGQR
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| BDBM50512398 |
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| n/a |
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| Name | BDBM50512398 |
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| Synonyms: | CHEMBL4457024 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H39NO5S2 |
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| Mol. Mass. | 533.743 |
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| SMILES | [H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CC[C@@H](OC(=O)CCCC[C@@H]1CCSS1)[C@@]2(C)NC=O |r,t:9| |
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| Structure | 
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