Reaction Details |
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Target | 1-deoxy-D-xylulose-5-phosphate synthase |
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Ligand | BDBM92962 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1441272 (CHEMBL3380662) |
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Kd | 114±n/a nM |
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Citation | Masini, T; Hirsch, AK Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents. J Med Chem57:9740-63 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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1-deoxy-D-xylulose-5-phosphate synthase |
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Name: | 1-deoxy-D-xylulose-5-phosphate synthase |
Synonyms: | 1-deoxy-D-xylulose-5-phosphate synthase | 1-deoxyxylulose-5-phosphate synthase | DXP synthase | DXPS | DXS_DEIRA | dxs |
Type: | PROTEIN |
Mol. Mass.: | 67636.69 |
Organism: | Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 /LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422) |
Description: | ChEMBL_109727 |
Residue: | 629 |
Sequence: | MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVD
IITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAI
TVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVL
NDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFF
DPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADP
IYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSR
VHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFC
IDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPR
GNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKP
LDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATA
ESVHARAGIDAPAIRTVLAELGVDVPIEV
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BDBM92962 |
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n/a |
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Name | BDBM92962 |
Synonyms: | ThDP |
Type | Small molecule |
Emp. Form. | C12H19N4O7P2S |
Mol. Mass. | 425.314 |
SMILES | Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N |
Structure |
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