BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 228484 O=Nc1ccccc1 InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H NLRKCXQQSUWLCH-UHFFFAOYSA-N 50065935 CHEMBL98797::NOB::Nitrosobenzene (Substrate 1)::nitrosobenzene 1-deoxy-D-xylulose-5-phosphate synthase 2.08e+5 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50065935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50065935&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search NBE 3HU9,1LH7,2LH7,2NSS 11473 103960650 27986 CHEMBL98797 C06876 ZINC04097291 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228485 Cc1ccccc1N=O InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3 TWLBRQVYXPMCFK-UHFFFAOYSA-N 108226 1‐methyl‐2‐nitrosobenzene (Substrate 3) 1-deoxy-D-xylulose-5-phosphate synthase 2.91e+5 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108226 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108226&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 11909 186525096 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228486 CN(C)c1ccc(cc1)N=O InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3 CMEWLCATCRTSGF-UHFFFAOYSA-N 108227 NDMA (Substrate 4) 1-deoxy-D-xylulose-5-phosphate synthase 8.44e+5 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108227 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108227&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 8749 186525097 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228487 Oc1ccc2ccccc2c1N=O InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H YXAOOTNFFAQIPZ-UHFFFAOYSA-N 108228 1‐nitroso‐2‐naphthol (Substrate 5) 1-deoxy-D-xylulose-5-phosphate synthase 4.22e+5 1.065e+6 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108228 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108228&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 8580 186525098 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228488 Oc1ccc2cc(Br)ccc2c1N=O InChI=1S/C10H6BrNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H ZHBZWHMJJIBGSH-UHFFFAOYSA-N 108229 6‐bromo‐1‐nitrosonaphthalen‐2‐ol (Substrate 6) 1-deoxy-D-xylulose-5-phosphate synthase 5.22e+5 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108229 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108229&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 3095161 186525099 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228489 NS(=O)(=O)c1ccc2c(N=O)c(O)ccc2c1 InChI=1S/C10H8N2O4S/c11-17(15,16)7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H,(H2,11,15,16) YYLHIQMUORIISP-UHFFFAOYSA-N 108230 6‐hydroxy‐5‐nitrosonaphthalene‐2‐sulfonamide (Substrate 7) 1-deoxy-D-xylulose-5-phosphate synthase 3.54e+5 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108230 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108230&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 3089450 186525100 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228490 COc1ccc2ccc(O)c(N=O)c2c1 InChI=1S/C11H9NO3/c1-15-8-4-2-7-3-5-10(13)11(12-14)9(7)6-8/h2-6,13H,1H3 UVNKSTJWSMMDEZ-UHFFFAOYSA-N 108231 7‐methoxy‐1‐nitrosonaphthalen‐2‐ol (Substrate 8) 1-deoxy-D-xylulose-5-phosphate synthase >2.000e+6 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108231 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108231&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 2833080 186525101 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 228491 CC(C)n1nc(C)c(N=O)c1C InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3 UUECYTLJOJGWJK-UHFFFAOYSA-N 108232 1‐isopropyl‐3,5‐dimethyl‐4‐nitrosopyrazole (Substrate 9) 1-deoxy-D-xylulose-5-phosphate synthase >2.000e+6 8 37.00 C Curated from the literature by BindingDB 10.1002/cbic.201300187 10.7270/Q2J101T3 23824585 aid1800220 Morris, F; Vierling, R; Boucher, L; Bosch, J; Freel Meyers, CL The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108232 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=108232&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 2827603 186525102 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208941 [Li+].CCOP([O-])(=O)C(C)=O InChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)/p-1 WUXJCOASEDOVAS-UHFFFAOYSA-M 50496736 CHEMBL3220784 1-deoxy-D-xylulose-5-phosphate synthase 6700 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496736&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667331 433964001 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208942 [Li+].COP([O-])(=O)C(C)=O InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)/p-1 QECABVMKPMRCRZ-UHFFFAOYSA-M 50496737 CHEMBL3220783 1-deoxy-D-xylulose-5-phosphate synthase 960 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496737&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667330 433964002 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208943 [Li+].CCCCOP([O-])(=O)C(C)=O InChI=1S/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)/p-1 JGFBWABEUCASTP-UHFFFAOYSA-M 50496738 CHEMBL3220785 1-deoxy-D-xylulose-5-phosphate synthase 5600 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496738&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667332 433964003 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208944 [Li+].CCCC(=O)P([O-])(=O)OC InChI=1S/C5H11O4P/c1-3-4-5(6)10(7,8)9-2/h3-4H2,1-2H3,(H,7,8)/p-1 BYDFQLKJOXPSTM-UHFFFAOYSA-M 50496739 CHEMBL3220787 1-deoxy-D-xylulose-5-phosphate synthase >1000000 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496739&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667334 433964004 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208945 [Li+].CCCCC(=O)P([O-])(=O)OC InChI=1S/C6H13O4P/c1-3-4-5-6(7)11(8,9)10-2/h3-5H2,1-2H3,(H,8,9)/p-1 QBRZPOQPTXFBTN-UHFFFAOYSA-M 50496740 CHEMBL3220788 1-deoxy-D-xylulose-5-phosphate synthase >1000000 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496740 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496740&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667335 433964005 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06 51208946 [Li+].CCC(=O)P([O-])(=O)OC InChI=1S/C4H9O4P/c1-3-4(5)9(6,7)8-2/h3H2,1-2H3,(H,6,7)/p-1 IZPDTRWIAGOLEW-UHFFFAOYSA-M 50496741 CHEMBL3220786 1-deoxy-D-xylulose-5-phosphate synthase 258400 ChEMBL 10.1039/c1md00233c 10.7270/Q2P55RGT 23326631 Smith, JM; Vierling, RJ; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5863&target=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496741&enzyme=1-deoxy-D-xylulose-5-phosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667333 433964006 1 MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA 2O1S 1-deoxy-D-xylulose-5-phosphate synthase DXS_ECOLI P77488 Q2MC06