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 51123184 Clc1ccc(CN2CCC3(CC2)OCCc2ccsc32)cc1 InChI=1S/C18H20ClNOS/c19-16-3-1-14(2-4-16)13-20-9-7-18(8-10-20)17-15(5-11-21-18)6-12-22-17/h1-4,6,12H,5,7-11,13H2 UOYXOHNTJGRHQG-UHFFFAOYSA-N 50460475 CHEMBL4227571 Probable L-lysine-epsilon aminotransferase 6830 ChEMBL 10.1016/j.bmc.2017.12.044 10.7270/Q28S4SJ7 29501415 Alluri, KK; Reshma, RS; Suraparaju, R; Gottapu, S; Sriram, D Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460475&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 134817080 433927740 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51123185 COc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCc1ccsc21 InChI=1S/C18H21NO4S2/c1-22-15-2-4-16(5-3-15)25(20,21)19-10-8-18(9-11-19)17-14(6-12-23-18)7-13-24-17/h2-5,7,13H,6,8-12H2,1H3 RGBUVAXGHYFXSQ-UHFFFAOYSA-N 50460476 CHEMBL4225131 Probable L-lysine-epsilon aminotransferase 1040 ChEMBL 10.1016/j.bmc.2017.12.044 10.7270/Q28S4SJ7 29501415 Alluri, KK; Reshma, RS; Suraparaju, R; Gottapu, S; Sriram, D Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460476&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 134817022 433927741 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51123186 Fc1ccc(C(=O)N2CCC3(CC2)OCCc2ccsc32)c(F)c1 InChI=1S/C18H17F2NO2S/c19-13-1-2-14(15(20)11-13)17(22)21-7-5-18(6-8-21)16-12(3-9-23-18)4-10-24-16/h1-2,4,10-11H,3,5-9H2 AMGGALJDNPCHAR-UHFFFAOYSA-N 50460477 CHEMBL4227828 Probable L-lysine-epsilon aminotransferase 3480 ChEMBL 10.1016/j.bmc.2017.12.044 10.7270/Q28S4SJ7 29501415 Alluri, KK; Reshma, RS; Suraparaju, R; Gottapu, S; Sriram, D Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50460477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50460477&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 134817056 433927742 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105820 COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1OC InChI=1S/C18H14N2O2S/c1-21-15-8-7-12(10-16(15)22-2)9-13(11-19)18-20-14-5-3-4-6-17(14)23-18/h3-10H,1-2H3/b13-9+ NXZFFFBXXILHEW-UKTHLTGXSA-N 50450910 CHEMBL4213200 Probable L-lysine-epsilon aminotransferase 61410 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450910&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5287171 433920252 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105821 Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)c(O)c1 InChI=1S/C16H10N2O2S/c17-9-11(7-10-5-6-12(19)8-14(10)20)16-18-13-3-1-2-4-15(13)21-16/h1-8,19-20H/b11-7+ DUANVZFOXHANPF-YRNVUSSQSA-N 50450911 CHEMBL4218889 Probable L-lysine-epsilon aminotransferase 23190 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450911&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 135615934 433920253 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105822 COc1cc(\C=C(/C#N)c2nc3ccccc3s2)ccc1O InChI=1S/C17H12N2O2S/c1-21-15-9-11(6-7-14(15)20)8-12(10-18)17-19-13-4-2-3-5-16(13)22-17/h2-9,20H,1H3/b12-8+ JCELEMZBUWHYOM-XYOKQWHBSA-N 50450912 CHEMBL4209746 Probable L-lysine-epsilon aminotransferase 7830 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450912&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 135412206 433920254 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105823 Fc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1 InChI=1S/C16H9FN2S/c17-13-7-5-11(6-8-13)9-12(10-18)16-19-14-3-1-2-4-15(14)20-16/h1-9H/b12-9+ FOZUSBHYTRVVMA-FMIVXFBMSA-N 50450913 CHEMBL4214659 Probable L-lysine-epsilon aminotransferase 4110 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450913&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5726724 433920255 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105824 Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1 InChI=1S/C16H10N2OS/c17-10-12(9-11-5-7-13(19)8-6-11)16-18-14-3-1-2-4-15(14)20-16/h1-9,19H/b12-9+ PPQCPESDMTYAOT-FMIVXFBMSA-N 50450914 CHEMBL4203644 Probable L-lysine-epsilon aminotransferase 10380 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450914&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 135541764 433920256 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105825 COc1cc(\C=C(/C#N)c2nc3ccccc3s2)cc(OC)c1OC InChI=1S/C19H16N2O3S/c1-22-15-9-12(10-16(23-2)18(15)24-3)8-13(11-20)19-21-14-6-4-5-7-17(14)25-19/h4-10H,1-3H3/b13-8+ GULOANVCIIOIBH-MDWZMJQESA-N 50450915 CHEMBL4205903 Probable L-lysine-epsilon aminotransferase 64890 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450915&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5711081 433920257 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105826 N#C\C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 InChI=1S/C23H16N2OS/c24-15-19(23-25-21-8-4-5-9-22(21)27-23)14-17-10-12-20(13-11-17)26-16-18-6-2-1-3-7-18/h1-14H,16H2/b19-14+ LMWGOUIFNVGZAI-XMHGGMMESA-N 50450916 CHEMBL4217608 Probable L-lysine-epsilon aminotransferase 47930 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450916&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5954571 433920258 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105827 N#C\C(=C/c1ccc2OCOc2c1)c1nc2ccccc2s1 InChI=1S/C17H10N2O2S/c18-9-12(17-19-13-3-1-2-4-16(13)22-17)7-11-5-6-14-15(8-11)21-10-20-14/h1-8H,10H2/b12-7+ PUVADSIVYFBGRV-KPKJPENVSA-N 50450917 CHEMBL4209346 Probable L-lysine-epsilon aminotransferase 65980 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450917&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5769291 433920259 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105828 OC(=O)COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1 InChI=1S/C18H12N2O3S/c19-10-13(18-20-15-3-1-2-4-16(15)24-18)9-12-5-7-14(8-6-12)23-11-17(21)22/h1-9H,11H2,(H,21,22)/b13-9+ DFFYNCNTRDHZNE-UKTHLTGXSA-N 50450918 CHEMBL4204475 Probable L-lysine-epsilon aminotransferase 3080 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450918&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 6081736 433920260 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105829 OC(=O)COc1ccccc1\C=C(/C#N)c1nc2ccccc2s1 InChI=1S/C18H12N2O3S/c19-10-13(18-20-14-6-2-4-8-16(14)24-18)9-12-5-1-3-7-15(12)23-11-17(21)22/h1-9H,11H2,(H,21,22)/b13-9+ KXSKJJHXPRXPSH-UKTHLTGXSA-N 50450919 CHEMBL4204623 Probable L-lysine-epsilon aminotransferase 53780 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450919&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 8273162 433920261 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105830 N#C\C(=C/c1ccco1)c1nc2ccccc2s1 InChI=1S/C14H8N2OS/c15-9-10(8-11-4-3-7-17-11)14-16-12-5-1-2-6-13(12)18-14/h1-8H/b10-8+ DBIXCVADFDLNNY-CSKARUKUSA-N 50450920 CHEMBL1462803 Probable L-lysine-epsilon aminotransferase 16230 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450920&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5769288 433920262 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105831 N#C\C(=C/c1ccc[nH]1)c1nc2ccccc2s1 InChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-16-11)14-17-12-5-1-2-6-13(12)18-14/h1-8,16H/b10-8+ ZOIYOOIRIOLEDZ-CSKARUKUSA-N 50450921 CHEMBL4213883 Probable L-lysine-epsilon aminotransferase 17050 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450921&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 6240597 433920263 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105832 [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3s2)o1 InChI=1S/C14H7N3O3S/c15-8-9(7-10-5-6-13(20-10)17(18)19)14-16-11-3-1-2-4-12(11)21-14/h1-7H/b9-7+ JESQZERTWSMDEP-VQHVLOKHSA-N 50450922 CHEMBL454676 Probable L-lysine-epsilon aminotransferase 19590 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450922&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5769289 433920264 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105833 [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1 InChI=1S/C14H7N3O2S2/c15-8-9(7-10-5-6-13(20-10)17(18)19)14-16-11-3-1-2-4-12(11)21-14/h1-7H/b9-7+ CNCAYVJOGWWUPY-VQHVLOKHSA-N 50450923 CHEMBL510628 Probable L-lysine-epsilon aminotransferase 54760 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450923&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 25111456 433920265 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105834 OC(=O)c1cccc(c1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)o1 InChI=1S/C21H12N2O3S/c22-12-15(20-23-17-6-1-2-7-19(17)27-20)11-16-8-9-18(26-16)13-4-3-5-14(10-13)21(24)25/h1-11H,(H,24,25)/b15-11+ BONVKWLVTVNASZ-RVDMUPIBSA-N 50450924 CHEMBL4205116 Probable L-lysine-epsilon aminotransferase 3740 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450924&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5874190 433920266 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105835 OC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)o1 InChI=1S/C21H12N2O3S/c22-12-15(20-23-17-3-1-2-4-19(17)27-20)11-16-9-10-18(26-16)13-5-7-14(8-6-13)21(24)25/h1-11H,(H,24,25)/b15-11+ PCPKVSYIXAXRFD-RVDMUPIBSA-N 50450925 CHEMBL4205529 Probable L-lysine-epsilon aminotransferase 14060 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450925&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5767533 433920267 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105836 OC(=O)c1cc(cc(c1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)o1)C(O)=O InChI=1S/C22H12N2O5S/c23-11-15(20-24-17-3-1-2-4-19(17)30-20)10-16-5-6-18(29-16)12-7-13(21(25)26)9-14(8-12)22(27)28/h1-10H,(H,25,26)(H,27,28)/b15-10+ RWZROUGAIMYXDL-XNTDXEJSSA-N 50450930 CHEMBL4210409 Probable L-lysine-epsilon aminotransferase 1150 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450930&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5929637 433920268 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105837 OC(=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1 InChI=1S/C21H12N2O2S2/c22-12-15(20-23-17-3-1-2-4-19(17)27-20)11-16-9-10-18(26-16)13-5-7-14(8-6-13)21(24)25/h1-11H,(H,24,25)/b15-11+ NGVQAKXMOVTXMR-RVDMUPIBSA-N 50450931 CHEMBL4206889 Probable L-lysine-epsilon aminotransferase 6720 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450931&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 145976664 433920269 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105838 OC(=O)c1cc(cc(c1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1)C(O)=O InChI=1S/C22H12N2O4S2/c23-11-15(20-24-17-3-1-2-4-19(17)30-20)10-16-5-6-18(29-16)12-7-13(21(25)26)9-14(8-12)22(27)28/h1-10H,(H,25,26)(H,27,28)/b15-10+ ZIMDEJMXXHLVFC-XNTDXEJSSA-N 50450932 CHEMBL4213368 Probable L-lysine-epsilon aminotransferase 2620 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450932&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 132938104 433920270 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105839 N#C\C(=C/c1cccs1)c1nc2ccccc2s1 InChI=1S/C14H8N2S2/c15-9-10(8-11-4-3-7-17-11)14-16-12-5-1-2-6-13(12)18-14/h1-8H/b10-8+ PEKXLUSHRAEUAI-CSKARUKUSA-N 50450933 CHEMBL4208966 Probable L-lysine-epsilon aminotransferase 92570 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450933&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5343985 433920271 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105840 N#C\C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2s1 InChI=1S/C18H11N3S/c19-10-12(18-21-16-7-3-4-8-17(16)22-18)9-13-11-20-15-6-2-1-5-14(13)15/h1-9,11,20H/b12-9+ KKZSLQGVLBCOIH-FMIVXFBMSA-N 5178 (2E)-2-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile::Indole-Containing Inhibitor 12 Probable L-lysine-epsilon aminotransferase 37910 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=5178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=5178&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 5329278 8034813 ZINC05776797 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895 51105841 OC(=O)c1cccc(c1)-c1ccc(\C=C(/C#N)c2nc3ccccc3s2)s1 InChI=1S/C21H12N2O2S2/c22-12-15(20-23-17-6-1-2-7-19(17)27-20)11-16-8-9-18(26-16)13-4-3-5-14(10-13)21(24)25/h1-11H,(H,24,25)/b15-11+ UWEHGJNQYLYYNL-RVDMUPIBSA-N 50450934 CHEMBL4211774 Probable L-lysine-epsilon aminotransferase 5730 ChEMBL 10.1016/j.bmc.2017.03.053 10.7270/Q2J67KGM 28389113 Reshma, RS; Jeankumar, VU; Kapoor, N; Saxena, S; Bobesh, KA; Vachaspathy, AR; Kolattukudy, PE; Sriram, D Birla Institute of Technology & Science-Pilani http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50450934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007710&target=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50450934&enzyme=Probable+L-lysine-epsilon+aminotransferase&column=ki&startPg=0&Increment=50&submit=Search 145967179 433920272 1 MAAVVKSVALAGRPTTPDRVHEVLGRSMLVDGLDIVLDLTRSGGSYLVDAITGRRYLDMFTFVASSALGMNPPALVDDREFHAELMQAALNKPSNSDVYSVAMARFVETFARVLGDPALPHLFFVEGGALAVENALKAAFDWKSRHNQAHGIDPALGTQVLHLRGAFHGRSGYTLSLTNTKPTITARFPKFDWPRIDAPYMRPGLDEPAMAALEAEALRQARAAFETRPHDIACFVAEPIQGEGGDRHFRPEFFAAMRELCDEFDALLIFDEVQTGCGLTGTAWAYQQLDVAPDIVAFGKKTQVCGVMAGRRVDEVADNVFAVPSRLNSTWGGNLTDMVRARRILEVIEAEGLFERAVQHGKYLRARLDELAADFPAVVLDPRGRGLMCAFSLPTTADRDELIRQLWQRAVIVLPAGADTVRFRPPLTVSTAEIDAAIAAVRSALPVVT 2CIN,2CJD,2CJG,2CJH,2JJG Probable L-lysine-epsilon aminotransferase LAT_MYCTU P9WQ77 L0TF67 P63509 P96895