| Reaction Details |
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 | Report a problem with these data |
| Target | Hexokinase-1 |
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| Ligand | BDBM50169019 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1577557 (CHEMBL3807033) |
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| IC50 | 2000±n/a nM |
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| Citation |  Lin, H; Zeng, J; Xie, R; Schulz, MJ; Tedesco, R; Qu, J; Erhard, KF; Mack, JF; Raha, K; Rendina, AR; Szewczuk, LM; Kratz, PM; Jurewicz, AJ; Cecconie, T; Martens, S; McDevitt, PJ; Martin, JD; Chen, SB; Jiang, Y; Nickels, L; Schwartz, BJ; Smallwood, A; Zhao, B; Campobasso, N; Qian, Y; Briand, J; Rominger, CM; Oleykowski, C; Hardwicke, MA; Luengo, JI Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors. ACS Med Chem Lett7:217-22 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Hexokinase-1 |
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| Name: | Hexokinase-1 |
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| Synonyms: | Brain form hexokinase | HK I | HK1 | HXK1_HUMAN | Hexokinase type I | Hexokinase-1 | hexokinase-1 isoform HKI |
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| Type: | PROTEIN |
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| Mol. Mass.: | 102488.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | EBI_11382 |
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| Residue: | 917 |
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| Sequence: | MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTAT
VKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVH
GSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGV
EGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYME
ELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGM
YLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLG
VEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKTH
PQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLT
KDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGTNFRV
LLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGF
TFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVG
TMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDD
IRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRG
IFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAA
VVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKG
AALITAVGVRLRTEASS
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| BDBM50169019 |
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| n/a |
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| Name | BDBM50169019 |
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| Synonyms: | CHEMBL3805765 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H15N3O10 |
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| Mol. Mass. | 373.2723 |
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| SMILES | OC[C@H]1OC(O)[C@H](NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)[C@@H](O)[C@@H]1O |r| |
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| Structure | 
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