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 57515 OC(=O)CCCC(=O)NC1=CC2OCOC2C=C1 InChI=1S/C12H15NO5/c14-11(2-1-3-12(15)16)13-8-4-5-9-10(6-8)18-7-17-9/h4-6,9-10H,1-3,7H2,(H,13,14)(H,15,16) FVJBXRRDPHTDMD-UHFFFAOYSA-N 31907 5-oxopentanoic acid, 4 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31907&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 44224112 85240533 ZINC62241753 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57516 Nc1ccn([C@H]2O[C@@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1 InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6+,7+,8-/m0/s1 NMPZCCZXCOMSDQ-IHBLQFBFSA-N 31909 Cytidine 2,3-cyclic phosphate, 6 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 20500000 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31909&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 6991976 85240535 ZINC38200464 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57517 Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1 InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1 WCPTXJJVVDAEMW-XVFCMESISA-N 31910 Cyclic CMP, 7 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 900000 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31910&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 3ESJ 19236 85240536 17065 6261 C00941 ZINC13532134 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57518 NC(=O)CSc1cc(N)nc(N)n1 InChI=1S/C6H9N5OS/c7-3-1-5(11-6(9)10-3)13-2-4(8)12/h1H,2H2,(H2,8,12)(H4,7,9,10,11) BKCXEOSYALVKFW-UHFFFAOYSA-N 31911 2-[(2,6-diaminopyrimidin-4-yl)sulfanyl]acetamide, 8 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31911&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 1712443 85240537 ZINC02023485 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57519 Nc1nnc(o1)-c1nonc1N InChI=1S/C4H4N6O2/c5-2-1(9-12-10-2)3-7-8-4(6)11-3/h(H2,5,10)(H2,6,8) OBKWIOMZWRTISM-UHFFFAOYSA-N 31912 4-(5-amino-1,3,4-oxadiazol-2-yl)-1,2,5-oxadiazol-3-amine, 10 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31912&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 574182 85240538 ZINC01087749 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57520 Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)n1 InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 IERHLVCPSMICTF-CCXZUQQUSA-N 31913 1-beta-D-arabinofuranosylcytosine 5-monophosphate::AraCMP::cytidylic acid 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 18910000 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31913&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search CAR 3ERN,6PZ3,1KDR,2KP3,3MDA,1NH3,6Q02,170D,6D0M,6D0Z,1HO6 65177 85240539 ZINC01785780 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57521 Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 STRZQWQNZQMHQR-UAKXSSHOSA-N 31914 4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one::5-fluorocytidine::FLUC 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 2020000 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31914&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search F01 3ELC 16861 85240540 38190 ZINC04255900 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57522 Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1 VWFCHDSQECPREK-LURJTMIESA-N 31915 CDV::Cidofovir::HPMPC::US10071110, Compound Cidofovir::Vistide 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 40000000 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31915&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search L8P 2L8P,5KM8 60613 85240541 3696 DB00369 C06909 ZINC21986258 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 57523 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1 LBMAEBPZXXNKMZ-VIFPVBQESA-N 31916 Tryptophanhydroxamate, 13 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 1920 7 10.00 C Curated from the literature by BindingDB 10.1021/jm801475n 10.7270/Q23B5XGB 19320487 aid1799187 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN University of Dundee http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31916&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 6ZB 5L03 667595 85240542 ZINC20518190 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 51209124 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 ZWIADYZPOWUWEW-XVFCMESISA-N 50194153 5'-CDP::CDP::CHEMBL425252::Cytidine::Cytidine 5'-diphosphoric acid::Cytidine 5'-pyrophosphate::Cytidine, 5'-(trihydrogen pyrophosphate)::cytidine 5'-(trihydrogen diphosphate) 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 768000 ChEMBL 10.1039/c2md20175e 10.7270/Q2WQ06R8 23509611 Bitok, JK; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50194153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50194153&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 6132 104076484 17239 CHEMBL425252 C00112 ZINC12495268 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 51209125 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1 DDFQRTUJAASDBA-ZOQUXTDFSA-N 50496771 CHEMBL3220831 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 343400 ChEMBL 10.1039/c2md20175e 10.7270/Q2WQ06R8 23509611 Bitok, JK; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496771&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667374 433964036 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 51209126 Nc1ccn([C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 InChI=1S/C10H17N3O10P2/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H2,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1 DDFQRTUJAASDBA-ZOQUXTDFSA-N 50496771 CHEMBL3220831 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 797300 ChEMBL 10.1039/c2md20175e 10.7270/Q2WQ06R8 23509611 Bitok, JK; Meyers, CF The Johns Hopkins University School of Medicine http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50496771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50496771&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 90667374 433964036 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83 51403504 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO InChI=1S/C11H13N3O2/c12-9(11(15)14-16)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13,16H,5,12H2,(H,14,15)/t9-/m0/s1 LBMAEBPZXXNKMZ-VIFPVBQESA-N 31916 Tryptophanhydroxamate, 13 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase Escherichia coli 22000 ChEMBL 10.1016/j.bmcl.2021.128273 10.7270/Q2VT1WTJ 34298132 Blain, JM; Grote, DL; Watkins, SM; Goshu, GM; Muller, C; Gorman, JL; Ranieri, G; Walter, RL; Hofstetter, H; Horn, JR; Hagen, TJ Northern Illinois University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=3977&target=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31916&enzyme=2-C-methyl-D-erythritol+2%2C4-cyclodiphosphate+synthase&column=ki&startPg=0&Increment=50&submit=Search 6ZB 5L03 667595 85240542 ZINC20518190 1 MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK 1GX1,1H47,1H48,1JY8,1KNJ,1KNK,1U3L,1U3P,1U40,1U43,2AMT,2GZL,3ELC,3EOR,3ERN,3ESJ,3FBA 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase ISPF_ECOLI P62617 P36663 Q2MA83