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 51398646 CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h13-15,18-19,22,30-31H,2-12H2,1H3,(H,27,29)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1 RIOYIVFVKHSLHF-CIVUBGFFSA-N 50565055 CHEMBL1213367 Long-chain-fatty-acid--AMP ligase FadD28 1500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565055&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 25113195 461685393 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398696 CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H20N6O7S/c1-2-3-8(21)19-28(24,25)26-4-7-10(22)11(23)14(27-7)20-6-18-9-12(15)16-5-17-13(9)20/h5-7,10-11,14,22-23H,2-4H2,1H3,(H,19,21)(H2,15,16,17)/t7-,10-,11-,14-/m1/s1 TYNAHCKXSBKYTA-FRJWGUMJSA-N 50565057 CHEMBL4797246 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565057&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162674707 461685395 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398697 CCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C16H24N6O7S/c1-2-3-4-5-10(23)21-30(26,27)28-6-9-12(24)13(25)16(29-9)22-8-20-11-14(17)18-7-19-15(11)22/h7-9,12-13,16,24-25H,2-6H2,1H3,(H,21,23)(H2,17,18,19)/t9-,12-,13-,16-/m1/s1 YWTBZUGWPNUPRC-RVXWVPLUSA-N 50565058 CHEMBL4779661 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565058&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 25113194 461685396 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398698 CCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C18H28N6O7S/c1-2-3-4-5-6-7-12(25)23-32(28,29)30-8-11-14(26)15(27)18(31-11)24-10-22-13-16(19)20-9-21-17(13)24/h9-11,14-15,18,26-27H,2-8H2,1H3,(H,23,25)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 VOJULRAUYRJNQO-XKLVTHTNSA-N 50565059 CHEMBL4787345 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565059&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162668249 461685397 C16236 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398699 CCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 WHJSYVVAGQVYEC-AEVYOOLXSA-N 50565060 CHEMBL4800285 Long-chain-fatty-acid--AMP ligase FadD28 88000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565060&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162677206 461685398 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398700 CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h13-15,18-19,22,30-31H,2-12H2,1H3,(H,27,29)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1 RIOYIVFVKHSLHF-CIVUBGFFSA-N 50565055 CHEMBL1213367 Long-chain-fatty-acid--AMP ligase FadD28 6400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565055&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 25113195 461685393 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398701 CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C24H40N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(31)29-38(34,35)36-14-17-20(32)21(33)24(37-17)30-16-28-19-22(25)26-15-27-23(19)30/h15-17,20-21,24,32-33H,2-14H2,1H3,(H,29,31)(H2,25,26,27)/t17-,20-,21-,24-/m1/s1 FNYPBZKSPJNLFS-FGSUIDRYSA-N 50565061 CHEMBL4793406 Long-chain-fatty-acid--AMP ligase FadD28 1400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565061&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162674148 461685399 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398702 CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C26H44N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(33)31-40(36,37)38-16-19-22(34)23(35)26(39-19)32-18-30-21-24(27)28-17-29-25(21)32/h17-19,22-23,26,34-35H,2-16H2,1H3,(H,31,33)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 ISYQHZMNRMKGOH-VJUOEERUSA-N 50565062 CHEMBL4794550 Long-chain-fatty-acid--AMP ligase FadD28 1000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565062&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 155813854 461685400 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398703 CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C28H48N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(35)33-42(38,39)40-18-21-24(36)25(37)28(41-21)34-20-32-23-26(29)30-19-31-27(23)34/h19-21,24-25,28,36-37H,2-18H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 ZMENLHDYMIKWIZ-VGSCBBJJSA-N 50565063 CHEMBL4789026 Long-chain-fatty-acid--AMP ligase FadD28 500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565063&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162669808 461685401 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398704 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC#C)[C@@H](O)[C@H]1O InChI=1S/C21H30N6O7S/c1-2-3-4-5-6-7-8-9-10-15(28)26-35(31,32)33-11-14-17(29)18(30)21(34-14)27-13-25-16-19(22)23-12-24-20(16)27/h1,12-14,17-18,21,29-30H,3-11H2,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 GFDGNIOSUJXFOF-HAXDFEGKSA-N 50565064 CHEMBL4798727 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565064&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676018 461685402 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398705 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC=C)[C@@H](O)[C@H]1O InChI=1S/C21H32N6O7S/c1-2-3-4-5-6-7-8-9-10-15(28)26-35(31,32)33-11-14-17(29)18(30)21(34-14)27-13-25-16-19(22)23-12-24-20(16)27/h2,12-14,17-18,21,29-30H,1,3-11H2,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 JYRPKBKOEFFERA-HAXDFEGKSA-N 50565065 CHEMBL4783693 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565065&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162666436 461685403 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398706 CCCCCCCCC\C=C\C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h10-11,13-15,18-19,22,30-31H,2-9,12H2,1H3,(H,27,29)(H2,23,24,25)/b11-10+/t15-,18-,19-,22-/m1/s1 LDPZZPXNXVORTR-GVUXWKHASA-N 50565066 CHEMBL4789057 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565066&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162670265 461685404 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398707 CCCCCC\C=C\CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h7-8,13-15,18-19,22,30-31H,2-6,9-12H2,1H3,(H,27,29)(H2,23,24,25)/b8-7+/t15-,18-,19-,22-/m1/s1 YHYILWVEULQOQU-DXZWLVDASA-N 50565067 CHEMBL4791922 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565067&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162671804 461685405 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398708 CCCCCC\C=C/CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h7-8,13-15,18-19,22,30-31H,2-6,9-12H2,1H3,(H,27,29)(H2,23,24,25)/b8-7-/t15-,18-,19-,22-/m1/s1 YHYILWVEULQOQU-ZHTRBDLSSA-N 50565068 CHEMBL4790765 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565068&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162672191 461685406 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398709 CCCCCCCCC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C23H36N6O7S/c1-2-3-4-5-6-7-8-9-14-10-15(14)22(32)28-37(33,34)35-11-16-18(30)19(31)23(36-16)29-13-27-17-20(24)25-12-26-21(17)29/h12-16,18-19,23,30-31H,2-11H2,1H3,(H,28,32)(H2,24,25,26)/t14-,15+,16-,18-,19-,23-/m1/s1 PQHKXVXUSBDOOF-GFCVIOQMSA-N 50565069 CHEMBL4799388 Long-chain-fatty-acid--AMP ligase FadD28 69800 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565069&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676431 461685407 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398710 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCO)[C@@H](O)[C@H]1O InChI=1S/C21H34N6O8S/c22-19-16-20(24-12-23-19)27(13-25-16)21-18(31)17(30)14(35-21)11-34-36(32,33)26-15(29)9-7-5-3-1-2-4-6-8-10-28/h12-14,17-18,21,28,30-31H,1-11H2,(H,26,29)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 AGMQGLWXNSDCGW-HAXDFEGKSA-N 50565070 CHEMBL4788624 Long-chain-fatty-acid--AMP ligase FadD28 92700 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565070&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162669278 461685408 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398711 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@H]1O InChI=1S/C22H35N9O7S/c23-20-17-21(26-13-25-20)31(14-27-17)22-19(34)18(33)15(38-22)12-37-39(35,36)29-16(32)10-8-6-4-2-1-3-5-7-9-11-28-30-24/h13-15,18-19,22,33-34H,1-12H2,(H,29,32)(H2,23,25,26)/t15-,18-,19-,22-/m1/s1 NKWIVOQUBXFHCE-CIVUBGFFSA-N 50565071 CHEMBL4799593 Long-chain-fatty-acid--AMP ligase FadD28 28500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565071&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162677343 461685409 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398712 NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H37N7O7S/c23-11-9-7-5-3-1-2-4-6-8-10-16(30)28-37(33,34)35-12-15-18(31)19(32)22(36-15)29-14-27-17-20(24)25-13-26-21(17)29/h13-15,18-19,22,31-32H,1-12,23H2,(H,28,30)(H2,24,25,26)/t15-,18-,19-,22-/m1/s1 XLYDHUOLVOCOQD-CIVUBGFFSA-N 50565072 CHEMBL4791297 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565072&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162670808 461685410 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398713 COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C21H32N6O9S/c1-34-15(29)9-7-5-3-2-4-6-8-14(28)26-37(32,33)35-10-13-17(30)18(31)21(36-13)27-12-25-16-19(22)23-11-24-20(16)27/h11-13,17-18,21,30-31H,2-10H2,1H3,(H,26,28)(H2,22,23,24)/t13-,17-,18-,21-/m1/s1 GSZDZVZLDONQBT-RAXVHSSMSA-N 50565073 CHEMBL4795365 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565073&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162674110 461685411 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398714 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC(O)=O)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O9S/c21-18-15-19(23-10-22-18)26(11-24-15)20-17(31)16(30)12(35-20)9-34-36(32,33)25-13(27)7-5-3-1-2-4-6-8-14(28)29/h10-12,16-17,20,30-31H,1-9H2,(H,25,27)(H,28,29)(H2,21,22,23)/t12-,16-,17-,20-/m1/s1 NXYASUPQOLTZJX-QQRWZLOUSA-N 50565074 CHEMBL4780409 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565074&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162663869 461685412 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398715 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H38N6O8S/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(41-27)16-40-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-39-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 VLRIGNDIFPKPGQ-ZCIWVVNKSA-N 50565075 CHEMBL4784453 Long-chain-fatty-acid--AMP ligase FadD28 710 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565075&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 649 8IQU,5HM3,5ICR 118987041 461685413 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398716 CCCCCCCCC[C@@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-3-4-5-6-7-8-9-10-14(2)21(31)27-36(32,33)34-11-15-17(29)18(30)22(35-15)28-13-26-16-19(23)24-12-25-20(16)28/h12-15,17-18,22,29-30H,3-11H2,1-2H3,(H,27,31)(H2,23,24,25)/t14-,15-,17-,18-,22-/m1/s1 YHJBQVKMEHMNSJ-JBDHLQPBSA-N 50565076 CHEMBL4792020 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565076&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162670847 461685414 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398717 CCCCCCCCC[C@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-3-4-5-6-7-8-9-10-14(2)21(31)27-36(32,33)34-11-15-17(29)18(30)22(35-15)28-13-26-16-19(23)24-12-25-20(16)28/h12-15,17-18,22,29-30H,3-11H2,1-2H3,(H,27,31)(H2,23,24,25)/t14-,15+,17+,18+,22+/m0/s1 YHJBQVKMEHMNSJ-ARTPSBNFSA-N 50565077 CHEMBL4790296 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565077&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162668400 461685415 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398718 CCCCCCCCCC(C)(C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C23H38N6O7S/c1-4-5-6-7-8-9-10-11-23(2,3)22(32)28-37(33,34)35-12-15-17(30)18(31)21(36-15)29-14-27-16-19(24)25-13-26-20(16)29/h13-15,17-18,21,30-31H,4-12H2,1-3H3,(H,28,32)(H2,24,25,26)/t15-,17-,18-,21-/m1/s1 RTENCTLFICQDAC-QTQZEZTPSA-N 50565078 CHEMBL4783512 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565078&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162665977 461685416 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398719 CCCCCCCCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C21H34N6O8S/c1-2-3-4-5-6-7-8-9-33-11-15(28)26-36(31,32)34-10-14-17(29)18(30)21(35-14)27-13-25-16-19(22)23-12-24-20(16)27/h12-14,17-18,21,29-30H,2-11H2,1H3,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 DMXVUOGFRWKZBY-HAXDFEGKSA-N 50565079 CHEMBL4795362 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565079&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162674108 461685417 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398720 CCCCOCCOCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C20H32N6O10S/c1-2-3-4-32-5-6-33-7-8-34-10-14(27)25-37(30,31)35-9-13-16(28)17(29)20(36-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 WBHSACVCNRSSRK-AEVYOOLXSA-N 50565080 CHEMBL4783410 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565080&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162666513 461685418 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398721 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C26H36N6O8S/c27-24-21-25(29-16-28-24)32(17-30-21)26-23(35)22(34)19(40-26)15-39-41(36,37)31-20(33)13-9-4-2-1-3-5-10-14-38-18-11-7-6-8-12-18/h6-8,11-12,16-17,19,22-23,26,34-35H,1-5,9-10,13-15H2,(H,31,33)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 VHJNYNTVABVIEB-VJUOEERUSA-N 50565081 CHEMBL4798925 Long-chain-fatty-acid--AMP ligase FadD28 6700 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565081&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676027 461685419 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398722 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C28H40N6O8S/c29-26-23-27(31-18-30-26)34(19-32-23)28-25(37)24(36)21(42-28)17-41-43(38,39)33-22(35)15-11-6-4-2-1-3-5-7-12-16-40-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,24-25,28,36-37H,1-7,11-12,15-17H2,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 YJLHORBHQMFHCH-VGSCBBJJSA-N 50565082 CHEMBL4786161 Long-chain-fatty-acid--AMP ligase FadD28 2600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565082&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162667013 461685420 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398723 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCSc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H38N6O7S2/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(40-27)16-39-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-41-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 LBWAYZOXJLZUNO-ZCIWVVNKSA-N 50565083 CHEMBL4783588 Long-chain-fatty-acid--AMP ligase FadD28 6300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565083&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162665542 461685421 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398724 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCNc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H39N7O7S/c28-25-22-26(31-17-30-25)34(18-32-22)27-24(37)23(36)20(41-27)16-40-42(38,39)33-21(35)14-10-5-3-1-2-4-6-11-15-29-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,29,36-37H,1-6,10-11,14-16H2,(H,33,35)(H2,28,30,31)/t20-,23-,24-,27-/m1/s1 WJBZSIDEJTZCLE-ZCIWVVNKSA-N 50565084 CHEMBL4791695 Long-chain-fatty-acid--AMP ligase FadD28 7300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565084&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162670828 461685422 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398725 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(F)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 VLYLHBWGTORCPJ-ZCIWVVNKSA-N 50565085 CHEMBL4795814 Long-chain-fatty-acid--AMP ligase FadD28 300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565085&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162672429 461685423 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398726 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(F)c2)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-10-9-11-19(14-18)40-13-8-6-4-2-1-3-5-7-12-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h9-11,14,16-17,20,23-24,27,36-37H,1-8,12-13,15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 XDTXREIPCZORLK-ZCIWVVNKSA-N 50565086 CHEMBL4793079 Long-chain-fatty-acid--AMP ligase FadD28 1600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565086&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162670888 461685424 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398727 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-11-8-9-12-19(18)40-14-10-6-4-2-1-3-5-7-13-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h8-9,11-12,16-17,20,23-24,27,36-37H,1-7,10,13-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 XDEAFXITXQUMNN-ZCIWVVNKSA-N 50565087 CHEMBL4796346 Long-chain-fatty-acid--AMP ligase FadD28 1500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565087&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676045 461685425 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398728 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Cl)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 JBDRSBHLCJIJDR-ZCIWVVNKSA-N 50565088 CHEMBL4788163 Long-chain-fatty-acid--AMP ligase FadD28 2200 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565088&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162669647 461685426 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398729 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(Cl)c2)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-10-9-11-19(14-18)40-13-8-6-4-2-1-3-5-7-12-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h9-11,14,16-17,20,23-24,27,36-37H,1-8,12-13,15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 HCNVNKQSYOYDSV-ZCIWVVNKSA-N 50565089 CHEMBL4778102 Long-chain-fatty-acid--AMP ligase FadD28 500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565089&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162644002 461685427 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398730 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2Cl)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-11-8-9-12-19(18)40-14-10-6-4-2-1-3-5-7-13-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h8-9,11-12,16-17,20,23-24,27,36-37H,1-7,10,13-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 GXCWWPOLTDQUHI-ZCIWVVNKSA-N 50565090 CHEMBL4794608 Long-chain-fatty-acid--AMP ligase FadD28 3600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565090&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162672377 461685428 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398731 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Br)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37BrN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 RXNXMFZPCYXLFZ-ZCIWVVNKSA-N 50565091 CHEMBL4786635 Long-chain-fatty-acid--AMP ligase FadD28 4000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565091&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162667438 461685429 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398732 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-10-12-19(13-11-18)43-14-8-6-4-2-1-3-5-7-9-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h10-13,16-17,20,23-24,27,39-40H,1-9,14-15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 ITLAXNPMKHSQIH-ZCIWVVNKSA-N 50565092 CHEMBL4796355 Long-chain-fatty-acid--AMP ligase FadD28 15600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565092&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676051 461685430 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398733 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-10-9-11-19(14-18)43-13-8-6-4-2-1-3-5-7-12-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h9-11,14,16-17,20,23-24,27,39-40H,1-8,12-13,15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 WVULGWJUTRHNDF-ZCIWVVNKSA-N 50565093 CHEMBL4785012 Long-chain-fatty-acid--AMP ligase FadD28 4400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565093&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162666268 461685431 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398734 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-11-8-9-12-19(18)43-14-10-6-4-2-1-3-5-7-13-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h8-9,11-12,16-17,20,23-24,27,39-40H,1-7,10,13-15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 QYCMIBWWMYOXIF-ZCIWVVNKSA-N 50565094 CHEMBL4793140 Long-chain-fatty-acid--AMP ligase FadD28 1300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565094&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162671598 461685432 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398735 COc1ccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 InChI=1S/C28H40N6O9S/c1-40-19-11-13-20(14-12-19)41-15-9-7-5-3-2-4-6-8-10-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34/h11-14,17-18,21,24-25,28,36-37H,2-10,15-16H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 XIECWMOPTHOIKC-VGSCBBJJSA-N 50565095 CHEMBL4792395 Long-chain-fatty-acid--AMP ligase FadD28 6600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565095&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162671572 461685433 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398736 COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 InChI=1S/C28H40N6O9S/c1-40-19-11-10-12-20(15-19)41-14-9-7-5-3-2-4-6-8-13-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34/h10-12,15,17-18,21,24-25,28,36-37H,2-9,13-14,16H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 LVNJYSYTYJKGOS-VGSCBBJJSA-N 50565096 CHEMBL4783091 Long-chain-fatty-acid--AMP ligase FadD28 1700 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565096&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162664718 461685434 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398737 CCN(CC)CC.COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C28H40N6O9S.C6H15N/c1-40-19-12-9-10-13-20(19)41-15-11-7-5-3-2-4-6-8-14-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34;1-4-7(5-2)6-3/h9-10,12-13,17-18,21,24-25,28,36-37H,2-8,11,14-16H2,1H3,(H,33,35)(H2,29,30,31);4-6H2,1-3H3/t21-,24-,25-,28-;/m1./s1 TXXSGRCCGNNMJW-YZJAJFNUSA-N 50565097 CHEMBL4796612 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565097&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162676324 461685435 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398738 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc3ccccc23)[C@@H](O)[C@H]1O InChI=1S/C31H40N6O8S/c32-29-26-30(34-19-33-29)37(20-35-26)31-28(40)27(39)24(45-31)18-44-46(41,42)36-25(38)16-7-5-3-1-2-4-6-10-17-43-23-15-11-13-21-12-8-9-14-22(21)23/h8-9,11-15,19-20,24,27-28,31,39-40H,1-7,10,16-18H2,(H,36,38)(H2,32,33,34)/t24-,27-,28-,31-/m1/s1 WSSQXMUCGGCMPJ-GUYMFIDCSA-N 50565098 CHEMBL4785579 Long-chain-fatty-acid--AMP ligase FadD28 25240 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565098&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162667744 461685436 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398739 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc3ccccc3c2)[C@@H](O)[C@H]1O InChI=1S/C31H40N6O8S/c32-29-26-30(34-19-33-29)37(20-35-26)31-28(40)27(39)24(45-31)18-44-46(41,42)36-25(38)13-7-5-3-1-2-4-6-10-16-43-23-15-14-21-11-8-9-12-22(21)17-23/h8-9,11-12,14-15,17,19-20,24,27-28,31,39-40H,1-7,10,13,16,18H2,(H,36,38)(H2,32,33,34)/t24-,27-,28-,31-/m1/s1 BQWKJZHXZDIJPZ-GUYMFIDCSA-N 50565099 CHEMBL4788041 Long-chain-fatty-acid--AMP ligase FadD28 1880 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565099&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162668725 461685437 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398740 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H39N7O7S/c28-25-22-26(30-17-29-25)34(18-31-22)27-24(37)23(36)20(41-27)16-32-42(38,39)33-21(35)14-10-5-3-1-2-4-6-11-15-40-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,32,36-37H,1-6,10-11,14-16H2,(H,33,35)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 GHLFYYDVYKDRRN-ZCIWVVNKSA-N 50565100 CHEMBL4779275 Long-chain-fatty-acid--AMP ligase FadD28 3100 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565100&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162662491 461685438 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398741 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H40N6O7S/c28-25-22-26(30-18-29-25)33(19-31-22)27-24(35)23(34)21(40-27)17-39-41(36,37)32-15-11-6-4-2-1-3-5-7-12-16-38-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,23-24,27,32,34-35H,1-7,11-12,15-17H2,(H2,28,29,30)/t21-,23-,24-,27-/m1/s1 DOWWLAIXNKDBSW-VBHAUSMQSA-N 50565101 CHEMBL4794644 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565101&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162672877 461685439 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4 51398742 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)OCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H40N6O7S/c28-25-22-26(30-18-29-25)33(19-31-22)27-24(35)23(34)21(40-27)17-32-41(36,37)39-16-12-7-5-3-1-2-4-6-11-15-38-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,23-24,27,32,34-35H,1-7,11-12,15-17H2,(H2,28,29,30)/t21-,23-,24-,27-/m1/s1 NRIWJDFGJAEJRF-VBHAUSMQSA-N 50565102 CHEMBL4794513 Long-chain-fatty-acid--AMP ligase FadD28 >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001015&target=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565102&enzyme=Long-chain-fatty-acid--AMP+ligase+FadD28&column=ki&startPg=0&Increment=50&submit=Search 162673184 461685440 1 MSVRSLPAALRACARLQPHDPAFTFMDYEQDWDGVAITLTWSQLYRRTLNVAQELSRCGSTGDRVVISAPQGLEYVVAFLGALQAGRIAVPLSVPQGGVTDERSDSVLSDSSPVAILTTSSAVDDVVQHVARRPGESPPSIIEVDLLDLDAPNGYTFKEDEYPSTAYLQYTSGSTRTPAGVVMSHQNVRVNFEQLMSGYFADTDGIPPPNSALVSWLPFYHDMGLVIGICAPILGGYPAVLTSPVSFLQRPARWMHLMASDFHAFSAAPNFAFELAARRTTDDDMAGRDLGNILTILSGSERVQAATIKRFADRFARFNLQERVIRPSYGLAEATVYVATSKPGQPPETVDFDTESLSAGHAKPCAGGGATSLISYMLPRSPIVRIVDSDTCIECPDGTVGEIWVHGDNVANGYWQKPDESERTFGGKIVTPSPGTPEGPWLRTGDSGFVTDGKMFIIGRIKDLLIVYGRNHSPDDIEATIQEITRGRCAAISVPGDRSTEKLVAIIELKKRGDSDQDAMARLGAIKREVTSALSSSHGLSVADLVLVAPGSIPITTSGKVRRGACVEQYRQDQFARLDA 3E53 Long-chain-fatty-acid--AMP ligase FadD28 FAA28_MYCTU P9WQ59 L0TCP5 P96290 Q7D6E4