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 50017148 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1 IBMOFQFKHAZDSV-IUCAKERBSA-N 50117542 2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL83240 Glutathionylspermidine synthase Crithidia fasciculata 3200 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117542&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320041 104011093 CHEMBL83240 C03649 ZINC13817891 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017342 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CN)C(O)=O InChI=1S/C14H26N4O6/c1-7(2)5-9(12(20)18-10(6-15)14(23)24)17-11(19)4-3-8(16)13(21)22/h7-10H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XRLFJKXZDVFTJR-GUBZILKMSA-N 50118640 (S)-2-Amino-4-[1-((S)-(S)-2-amino-1-carboxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL88638 Glutathionylspermidine synthase Crithidia fasciculata 7200 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118640&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10337674 104011909 CHEMBL88638 C03649 ZINC13648969 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50049486 C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCP([O-])(=O)OCCC[NH2+]CCCC[NH3+] InChI=1S/C16H34N5O7P/c1-12(21-14(22)6-5-13(18)16(24)25)15(23)20-11-29(26,27)28-10-4-9-19-8-3-2-7-17/h12-13,19H,2-11,17-18H2,1H3,(H,20,23)(H,21,22)(H,24,25)(H,26,27)/p+1/t12-,13-/m0/s1 YVYPPQFPNSNQLR-STQMWFEESA-O 50060962 2-Amino-4-[1-({[3-(4-amino-butylamino)-propoxy]-hydroxy-phosphorylmethyl}-carbamoyl)-ethylcarbamoyl]-butyric acid::Hydrogen O-[3-[N-(4-Aminobutyl)amino]propyl][[(glutamylalanyl) amino]methyl]phosphonate Glutathionylspermidine synthase Crithidia fasciculata 14000 ChEMBL 10.1021/jm970414b 10.7270/Q2MP53XB 9371250 Chen, S; Lin, CH; Kwon, DS; Walsh, CT; Coward, JK University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060962&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44349664 103956568 58001 C03649 ZINC13536419 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017329 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CN)C(O)=O InChI=1S/C14H26N4O6/c1-7(2)5-9(12(20)18-10(6-15)14(23)24)17-11(19)4-3-8(16)13(21)22/h7-10H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XRLFJKXZDVFTJR-GUBZILKMSA-N 50118640 (S)-2-Amino-4-[1-((S)-(S)-2-amino-1-carboxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL88638 Glutathionylspermidine synthase Crithidia fasciculata 7200 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118640&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10337674 104011909 CHEMBL88638 C03649 ZINC13648969 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017336 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XGGONOBOZIOZOA-GUBZILKMSA-N 50118644 (S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL314542 Glutathionylspermidine synthase Crithidia fasciculata 14000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118644&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324461 104011913 CHEMBL314542 C03649 ZINC13648978 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017337 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XGGONOBOZIOZOA-GUBZILKMSA-N 50118644 (S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL314542 Glutathionylspermidine synthase Crithidia fasciculata 14000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118644&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324461 104011913 CHEMBL314542 C03649 ZINC13648978 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017338 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 AUIUPLGGDKKRNX-SRVKXCTJSA-N 50118638 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5-guanidino-pentanoic acid::CHEMBL91148 Glutathionylspermidine synthase Crithidia fasciculata 6400 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118638&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10364596 104011907 CHEMBL91148 C03649 ZINC13648976 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017339 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 AUIUPLGGDKKRNX-SRVKXCTJSA-N 50118638 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5-guanidino-pentanoic acid::CHEMBL91148 Glutathionylspermidine synthase Crithidia fasciculata 6400 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118638&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10364596 104011907 CHEMBL91148 C03649 ZINC13648976 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017340 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCCN)C(O)=O InChI=1S/C21H41N5O6/c1-14(2)13-17(25-18(27)9-8-15(23)20(29)30)19(28)26-16(21(31)32)7-3-5-11-24-12-6-4-10-22/h14-17,24H,3-13,22-23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17-/m0/s1 QOMWTFAFMDSEDH-ULQDDVLXSA-N 50118639 6-(4-Amino-butylamino)-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL88662 Glutathionylspermidine synthase Crithidia fasciculata 32000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118639&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324438 104011908 CHEMBL88662 C03649 ZINC13648982 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017341 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCCN)C(O)=O InChI=1S/C21H41N5O6/c1-14(2)13-17(25-18(27)9-8-15(23)20(29)30)19(28)26-16(21(31)32)7-3-5-11-24-12-6-4-10-22/h14-17,24H,3-13,22-23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17-/m0/s1 QOMWTFAFMDSEDH-ULQDDVLXSA-N 50118639 6-(4-Amino-butylamino)-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL88662 Glutathionylspermidine synthase Crithidia fasciculata 32000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118639&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324438 104011908 CHEMBL88662 C03649 ZINC13648982 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017343 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CN)C(O)=O InChI=1S/C14H26N4O6/c1-7(2)5-9(12(20)18-10(6-15)14(23)24)17-11(19)4-3-8(16)13(21)22/h7-10H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XRLFJKXZDVFTJR-GUBZILKMSA-N 50118640 (S)-2-Amino-4-[1-((S)-(S)-2-amino-1-carboxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL88638 Glutathionylspermidine synthase Crithidia fasciculata 9100 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118640&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10337674 104011909 CHEMBL88638 C03649 ZINC13648969 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214337 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O InChI=1S/C20H39N5O6/c1-13(2)12-16(24-17(26)8-7-14(22)19(28)29)18(27)25-15(20(30)31)6-3-4-10-23-11-5-9-21/h13-16,23H,3-12,21-22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,15-,16-/m0/s1 YFFPGILLFURGLT-JYJNAYRXSA-N 50118645 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-6-(3-amino-propylamino)-hexanoic acid::CHEMBL88542 Glutathionylspermidine synthase Crithidia fasciculata 33000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118645&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324449 104011914 CHEMBL88542 C03649 ZINC13648980 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585745 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O InChI=1S/C20H39N5O6/c1-13(2)12-16(24-17(26)8-7-14(22)19(28)29)18(27)25-15(20(30)31)6-3-4-10-23-11-5-9-21/h13-16,23H,3-12,21-22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,15-,16-/m0/s1 YFFPGILLFURGLT-JYJNAYRXSA-N 50118645 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-6-(3-amino-propylamino)-hexanoic acid::CHEMBL88542 Glutathionylspermidine synthase Crithidia fasciculata 33000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118645&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324449 104011914 CHEMBL88542 C03649 ZINC13648980 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585746 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCN)C(O)=O InChI=1S/C15H28N4O6/c1-8(2)7-11(13(21)19-10(5-6-16)15(24)25)18-12(20)4-3-9(17)14(22)23/h8-11H,3-7,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11-/m0/s1 APCWUTMJBRRZIT-DCAQKATOSA-N 50118643 (S)-2-Amino-4-[1-((S)-(S)-3-amino-1-carboxy-propylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL90802 Glutathionylspermidine synthase Crithidia fasciculata 10400 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118643&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324462 104011912 CHEMBL90802 C03649 ZINC13648970 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585747 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCN)C(O)=O InChI=1S/C15H28N4O6/c1-8(2)7-11(13(21)19-10(5-6-16)15(24)25)18-12(20)4-3-9(17)14(22)23/h8-11H,3-7,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11-/m0/s1 APCWUTMJBRRZIT-DCAQKATOSA-N 50118643 (S)-2-Amino-4-[1-((S)-(S)-3-amino-1-carboxy-propylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL90802 Glutathionylspermidine synthase Crithidia fasciculata 10400 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118643&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324462 104011912 CHEMBL90802 C03649 ZINC13648970 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585748 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1 NZQGXDSCMFIXES-SRVKXCTJSA-N 50118642 5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanoic acid::CHEMBL328493 Glutathionylspermidine synthase Crithidia fasciculata 10000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118642&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324450 104011911 CHEMBL328493 C03649 ZINC13648972 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585749 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1 NZQGXDSCMFIXES-SRVKXCTJSA-N 50118642 5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanoic acid::CHEMBL328493 Glutathionylspermidine synthase Crithidia fasciculata 10000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118642&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324450 104011911 CHEMBL328493 C03649 ZINC13648972 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585750 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O InChI=1S/C17H32N4O6/c1-10(2)9-13(20-14(22)7-6-11(19)16(24)25)15(23)21-12(17(26)27)5-3-4-8-18/h10-13H,3-9,18-19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H,26,27)/t11-,12-,13-/m0/s1 YBJFLDODKPSJPR-AVGNSLFASA-N 50118641 6-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL92063 Glutathionylspermidine synthase Crithidia fasciculata 27000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118641&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324439 104011910 CHEMBL92063 C03649 ZINC13648974 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585751 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O InChI=1S/C17H32N4O6/c1-10(2)9-13(20-14(22)7-6-11(19)16(24)25)15(23)21-12(17(26)27)5-3-4-8-18/h10-13H,3-9,18-19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H,26,27)/t11-,12-,13-/m0/s1 YBJFLDODKPSJPR-AVGNSLFASA-N 50118641 6-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL92063 Glutathionylspermidine synthase Crithidia fasciculata 27000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118641&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324439 104011910 CHEMBL92063 C03649 ZINC13648974 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214336 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O InChI=1S/C17H32N4O6/c1-10(2)9-13(20-14(22)7-6-11(19)16(24)25)15(23)21-12(17(26)27)5-3-4-8-18/h10-13H,3-9,18-19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H,26,27)/t11-,12-,13-/m0/s1 YBJFLDODKPSJPR-AVGNSLFASA-N 50118641 6-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL92063 Glutathionylspermidine synthase Crithidia fasciculata 18000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118641&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324439 104011910 CHEMBL92063 C03649 ZINC13648974 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214343 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C14H25N3O7/c1-7(2)5-9(12(20)17-10(6-18)14(23)24)16-11(19)4-3-8(15)13(21)22/h7-10,18H,3-6,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)(H,23,24)/t8-,9-,10-/m0/s1 XGGONOBOZIOZOA-GUBZILKMSA-N 50118644 (S)-2-Amino-4-[1-((S)-(S)-1-carboxy-2-hydroxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL314542 Glutathionylspermidine synthase Crithidia fasciculata 11700 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118644&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324461 104011913 CHEMBL314542 C03649 ZINC13648978 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214350 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](N)C(O)=O)C(O)=O InChI=1S/C17H31N3O6/c1-9(2)7-12(19-14(21)6-5-11(18)16(23)24)15(22)20-13(17(25)26)8-10(3)4/h9-13H,5-8,18H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t11-,12-,13-/m0/s1 QMNWSMZLXWGCNG-AVGNSLFASA-N 50118646 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-4-methyl-pentanoic acid::CHEMBL90192 Glutathionylspermidine synthase Crithidia fasciculata 365000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118646&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324478 104011915 CHEMBL90192 C03649 ZINC13648961 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214351 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCN)C(O)=O InChI=1S/C20H39N5O6/c1-13(2)12-16(24-17(26)8-7-14(22)19(28)29)18(27)25-15(20(30)31)6-3-4-10-23-11-5-9-21/h13-16,23H,3-12,21-22H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,15-,16-/m0/s1 YFFPGILLFURGLT-JYJNAYRXSA-N 50118645 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-6-(3-amino-propylamino)-hexanoic acid::CHEMBL88542 Glutathionylspermidine synthase Crithidia fasciculata 23000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118645&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324449 104011914 CHEMBL88542 C03649 ZINC13648980 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214353 CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](N)C(O)=O)C(O)=O InChI=1S/C16H29N3O6/c1-4-5-11(16(24)25)19-14(21)12(8-9(2)3)18-13(20)7-6-10(17)15(22)23/h9-12H,4-8,17H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t10-,11-,12-/m0/s1 JRMMAQCMYYZTAJ-SRVKXCTJSA-N 50118647 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanoic acid::CHEMBL91671 Glutathionylspermidine synthase Crithidia fasciculata 145000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118647&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324460 104011916 CHEMBL91671 C03649 ZINC13648957 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214354 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCN)C(O)=O InChI=1S/C16H30N4O6/c1-9(2)8-12(19-13(21)6-5-10(18)15(23)24)14(22)20-11(16(25)26)4-3-7-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t10-,11-,12-/m0/s1 NZQGXDSCMFIXES-SRVKXCTJSA-N 50118642 5-Amino-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanoic acid::CHEMBL328493 Glutathionylspermidine synthase Crithidia fasciculata 10300 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118642&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324450 104011911 CHEMBL328493 C03649 ZINC13648972 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214355 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O InChI=1S/C15H26N4O7/c1-7(2)5-9(18-12(21)4-3-8(16)14(23)24)13(22)19-10(15(25)26)6-11(17)20/h7-10H,3-6,16H2,1-2H3,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)(H,25,26)/t8-,9-,10-/m0/s1 NPHGRUHRBVZSSU-GUBZILKMSA-N 50118649 (S)-2-Amino-4-[1-((S)-(S)-2-carbamoyl-1-carboxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL88851 Glutathionylspermidine synthase Crithidia fasciculata 142000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118649&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324447 104011918 CHEMBL88851 C03649 ZINC13648963 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214356 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C15H25N3O8/c1-7(2)5-9(17-11(19)4-3-8(16)14(23)24)13(22)18-10(15(25)26)6-12(20)21/h7-10H,3-6,16H2,1-2H3,(H,17,19)(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t8-,9-,10-/m0/s1 RZIZMAYFOFSXGD-GUBZILKMSA-N 50118648 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-succinic acid::CHEMBL90853 Glutathionylspermidine synthase Crithidia fasciculata 156000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118648&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324463 104011917 CHEMBL90853 C02715 ZINC13648965 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214357 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](C)C(O)=O InChI=1S/C14H25N3O6/c1-7(2)6-10(12(19)16-8(3)13(20)21)17-11(18)5-4-9(15)14(22)23/h7-10H,4-6,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)(H,22,23)/t8-,9-,10-/m0/s1 LSSCUUZYHOFSDS-GUBZILKMSA-N 50118652 (S)-2-Amino-4-[1-((S)-(S)-1-carboxy-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL419871 Glutathionylspermidine synthase Crithidia fasciculata 90000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118652&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324525 104011921 CHEMBL419871 C03649 ZINC13507513 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214359 CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCNCCCNC(=O)OC(C)(C)C)C(O)=O InChI=1S/C34H63N5O10/c1-22(2)21-25(37-26(40)17-16-24(29(44)47-32(3,4)5)39-31(46)49-34(9,10)11)27(41)38-23(28(42)43)15-12-13-18-35-19-14-20-36-30(45)48-33(6,7)8/h22-25,35H,12-21H2,1-11H3,(H,36,45)(H,37,40)(H,38,41)(H,39,46)(H,42,43)/t23-,24-,25-/m0/s1 XTBVKIPIGHVJQR-SDHOMARFSA-N 50118651 (S)-6-(3-tert-Butoxycarbonylamino-propylamino)-2-[(S)-2-((S)-4-tert-butoxycarbonyl-4-tert-butoxycarbonylamino-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL89664 Glutathionylspermidine synthase Crithidia fasciculata 157000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118651&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324346 104011920 CHEMBL89664 ZINC26580028 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214360 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCN)C(O)=O InChI=1S/C15H28N4O6/c1-8(2)7-11(13(21)19-10(5-6-16)15(24)25)18-12(20)4-3-9(17)14(22)23/h8-11H,3-7,16-17H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)/t9-,10-,11-/m0/s1 APCWUTMJBRRZIT-DCAQKATOSA-N 50118643 (S)-2-Amino-4-[1-((S)-(S)-3-amino-1-carboxy-propylcarbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL90802 Glutathionylspermidine synthase Crithidia fasciculata 13700 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118643&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324462 104011912 CHEMBL90802 C03649 ZINC13648970 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214361 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C16H27N3O8/c1-8(2)7-11(18-12(20)5-3-9(17)15(24)25)14(23)19-10(16(26)27)4-6-13(21)22/h8-11H,3-7,17H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)(H,24,25)(H,26,27)/t9-,10-,11-/m0/s1 GGZDBQOQWFZMPG-DCAQKATOSA-N 50118650 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-pentanedioic acid::CHEMBL446612 Glutathionylspermidine synthase Crithidia fasciculata 227000 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118650&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324356 104011919 CHEMBL446612 C03649 ZINC13648967 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214362 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C17H32N6O6/c1-9(2)8-12(22-13(24)6-5-10(18)15(26)27)14(25)23-11(16(28)29)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 AUIUPLGGDKKRNX-SRVKXCTJSA-N 50118638 2-[(S)-2-((S)-4-Amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5-guanidino-pentanoic acid::CHEMBL91148 Glutathionylspermidine synthase Crithidia fasciculata 9400 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118638&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10364596 104011907 CHEMBL91148 C03649 ZINC13648976 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50214363 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)N[C@@H](CCCCNCCCCN)C(O)=O InChI=1S/C21H41N5O6/c1-14(2)13-17(25-18(27)9-8-15(23)20(29)30)19(28)26-16(21(31)32)7-3-5-11-24-12-6-4-10-22/h14-17,24H,3-13,22-23H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17-/m0/s1 QOMWTFAFMDSEDH-ULQDDVLXSA-N 50118639 6-(4-Amino-butylamino)-2-[(S)-2-((S)-4-amino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-hexanoic acid::CHEMBL88662 Glutathionylspermidine synthase Crithidia fasciculata 27900 ChEMBL 10.1016/s0960-894x(02)00538-3 10.7270/Q2MS3S34 12217358 Amssoms, K; Oza, SL; Augustyns, K; Yamani, A; Lambeir, AM; Bal, G; Van der Veken, P; Fairlamb, AH; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118639&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44324438 104011908 CHEMBL88662 C03649 ZINC13648982 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212394 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NS(=O)(=O)c1ccc(C)cc1 InChI=1S/C20H30N4O7S/c1-12(2)10-16(23-17(25)9-8-15(21)20(28)29)19(27)22-11-18(26)24-32(30,31)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11,21H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29)/t15-,16-/m0/s1 PAWLKBRRHLRHKB-HOTGVXAUSA-N 50117543 2-Amino-4-{3-methyl-1-[2-oxo-2-(toluene-4-sulfonylamino)-ethylcarbamoyl]-butylcarbamoyl}-butyric acid::CHEMBL85464 Glutathionylspermidine synthase Crithidia fasciculata 2000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117543 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117543&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320048 104011094 CHEMBL85464 C03649 ZINC26572981 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212397 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCc1nnn[nH]1 InChI=1S/C13H23N7O4/c1-7(2)5-9(12(22)15-6-10-17-19-20-18-10)16-11(21)4-3-8(14)13(23)24/h7-9H,3-6,14H2,1-2H3,(H,15,22)(H,16,21)(H,23,24)(H,17,18,19,20)/t8-,9-/m0/s1 YKJHDFVFRSRSLF-IUCAKERBSA-N 50117545 2-Amino-4-{3-methyl-1-[(1H-tetrazol-5-ylmethyl)-carbamoyl]-butylcarbamoyl}-butyric acid::CHEMBL316406 Glutathionylspermidine synthase Crithidia fasciculata 138000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117545 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117545&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44319843 104011096 CHEMBL316406 C03649 ZINC13817889 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212398 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(N)=O InChI=1S/C13H24N4O5/c1-7(2)5-9(12(20)16-6-10(15)18)17-11(19)4-3-8(14)13(21)22/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t8-,9-/m0/s1 MECDSAWKIJDNOX-IUCAKERBSA-N 50117546 2-Amino-4-[1-(carbamoylmethyl-carbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL315249 Glutathionylspermidine synthase Crithidia fasciculata >2000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117546&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320045 104011097 CHEMBL315249 C03649 ZINC13817894 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212400 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCP(O)(O)=O InChI=1S/C12H24N3O7P/c1-7(2)5-9(11(17)14-6-23(20,21)22)15-10(16)4-3-8(13)12(18)19/h7-9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/t8-,9-/m0/s1 BMRQSKYAPLJFKP-IUCAKERBSA-N 50117547 2-Amino-4-[3-methyl-1-(phosphonomethyl-carbamoyl)-butylcarbamoyl]-butyric acid::CHEMBL313808 Glutathionylspermidine synthase Crithidia fasciculata 60000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117547&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 9975360 104011098 CHEMBL313808 C03649 ZINC13817886 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212403 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1 FFSNERICBHITBH-IUCAKERBSA-N 50117544 2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-methylbutylcarbamoyl)butanoic acid::CHEMBL87811 Glutathionylspermidine synthase Crithidia fasciculata 17200 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117544&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10471055 104011095 CHEMBL87811 C03649 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50480131 CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCP(O)(O)=O InChI=1S/C11H22N3O7P/c1-6(2)9(11(18)13-5-22(19,20)21)14-10(17)7(12)3-4-8(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,18)(H,14,17)(H,15,16)(H2,19,20,21)/t7-,9-/m0/s1 SVCQJRHDQHPPLX-CBAPKCEASA-N 50288579 (S)-4-Amino-4-[(S)-2-methyl-1-(phosphonomethyl-carbamoyl)-propylcarbamoyl]-butyric acid::CHEMBL86137 Glutathionylspermidine synthase Crithidia fasciculata 290000 ChEMBL 10.1016/0960-894X(96)00001-7 10.7270/Q2T72HF8 Verbruggen, C; Craecker, SD; Rajan, P; Jiao, XY; Borloo, M; Smith, K; Fairlamb, AH; Haemers, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50288579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50288579&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320484 104130150 CHEMBL86137 ZINC26574008 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50480132 CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCP(O)(O)=O InChI=1S/C12H24N3O7P/c1-7(2)5-9(12(19)14-6-23(20,21)22)15-11(18)8(13)3-4-10(16)17/h7-9H,3-6,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H2,20,21,22)/t8-,9-/m0/s1 OVTCWQXXBZNCBG-IUCAKERBSA-N 50288580 (S)-4-Amino-4-[(S)-3-methyl-1-(phosphonomethyl-carbamoyl)-butylcarbamoyl]-butyric acid::(S)-4-Amino-4-[3-methyl-1-((S)-phosphonomethyl-carbamoyl)-butylcarbamoyl]-butyric acid::CHEMBL431616 Glutathionylspermidine synthase Crithidia fasciculata 60000 ChEMBL 10.1016/0960-894X(96)00001-7 10.7270/Q2T72HF8 Verbruggen, C; Craecker, SD; Rajan, P; Jiao, XY; Borloo, M; Smith, K; Fairlamb, AH; Haemers, A TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50288580 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50288580&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320656 104130151 CHEMBL431616 ZINC26575719 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50783273 C[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCP([O-])(=O)OCCC[NH2+]CCCC[NH3+] InChI=1S/C16H34N5O7P/c1-12(21-14(22)6-5-13(18)16(24)25)15(23)20-11-29(26,27)28-10-4-9-19-8-3-2-7-17/h12-13,19H,2-11,17-18H2,1H3,(H,20,23)(H,21,22)(H,24,25)(H,26,27)/p+1/t12-,13-/m0/s1 YVYPPQFPNSNQLR-STQMWFEESA-O 50060962 2-Amino-4-[1-({[3-(4-amino-butylamino)-propoxy]-hydroxy-phosphorylmethyl}-carbamoyl)-ethylcarbamoyl]-butyric acid::Hydrogen O-[3-[N-(4-Aminobutyl)amino]propyl][[(glutamylalanyl) amino]methyl]phosphonate Glutathionylspermidine synthase Crithidia fasciculata 6000 ChEMBL 10.1021/jm970414b 10.7270/Q2MP53XB 9371250 Chen, S; Lin, CH; Kwon, DS; Walsh, CT; Coward, JK University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060962&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44349664 103956568 58001 C03649 ZINC13536419 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50783274 COP(=O)(CNC(=O)[C@H](C)NC(=O)CC[C@H]([NH3+])C([O-])=O)NCCC[NH2+]CCCC[NH3+] InChI=1S/C17H37N6O6P/c1-13(23-15(24)7-6-14(19)17(26)27)16(25)21-12-30(28,29-2)22-11-5-10-20-9-4-3-8-18/h13-14,20H,3-12,18-19H2,1-2H3,(H,21,25)(H,22,28)(H,23,24)(H,26,27)/p+2/t13-,14-,30?/m0/s1 FPNATJMUGNUIJV-IZGNHLFCSA-P 50060963 O-Methyl-N-[3-[N-(4-aminobutyl)amino]propyl][[(glutamylalanyl) amino]methyl]phosphonamidate Glutathionylspermidine synthase Crithidia fasciculata 24000 ChEMBL 10.1021/jm970414b 10.7270/Q2MP53XB 9371250 Chen, S; Lin, CH; Kwon, DS; Walsh, CT; Coward, JK University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50060963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50060963&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44350288 103956569 58001 C03649 ZINC95539358 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50017147 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1 FFSNERICBHITBH-IUCAKERBSA-N 50117544 2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-methylbutylcarbamoyl)butanoic acid::CHEMBL87811 Glutathionylspermidine synthase Crithidia fasciculata 81000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117544&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10471055 104011095 CHEMBL87811 C03649 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50078349 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCB(O)O InChI=1S/C12H24BN3O6/c1-7(2)5-9(11(18)15-6-13(21)22)16-10(17)4-3-8(14)12(19)20/h7-9,21-22H,3-6,14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-/m0/s1 FFSNERICBHITBH-IUCAKERBSA-N 50117544 2-amino-4-(1-dihydroxyboronylmethylcarbamoyl-3-methylbutylcarbamoyl)butanoic acid::CHEMBL87811 Glutathionylspermidine synthase Crithidia fasciculata 81000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117544 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117544&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 10471055 104011095 CHEMBL87811 C03649 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50212393 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(N)=O InChI=1S/C13H24N4O5/c1-7(2)5-9(12(20)16-6-10(15)18)17-11(19)4-3-8(14)13(21)22/h7-9H,3-6,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t8-,9-/m0/s1 MECDSAWKIJDNOX-IUCAKERBSA-N 50117546 2-Amino-4-[1-(carbamoylmethyl-carbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL315249 Glutathionylspermidine synthase Crithidia fasciculata 105000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117546 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117546&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320045 104011097 CHEMBL315249 C03649 ZINC13817894 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585678 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NO InChI=1S/C13H24N4O6/c1-7(2)5-9(12(20)15-6-11(19)17-23)16-10(18)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,18)(H,17,19)(H,21,22)/t8-,9-/m0/s1 IBMOFQFKHAZDSV-IUCAKERBSA-N 50117542 2-Amino-4-[1-(hydroxycarbamoylmethyl-carbamoyl)-3-methyl-butylcarbamoyl]-butyric acid::CHEMBL83240 Glutathionylspermidine synthase Crithidia fasciculata 2500 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117542 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117542&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 44320041 104011093 CHEMBL83240 C03649 ZINC13817891 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518 50585679 CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCP(O)(O)=O InChI=1S/C12H24N3O7P/c1-7(2)5-9(11(17)14-6-23(20,21)22)15-10(16)4-3-8(13)12(18)19/h7-9H,3-6,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)(H2,20,21,22)/t8-,9-/m0/s1 BMRQSKYAPLJFKP-IUCAKERBSA-N 50117547 2-Amino-4-[3-methyl-1-(phosphonomethyl-carbamoyl)-butylcarbamoyl]-butyric acid::CHEMBL313808 Glutathionylspermidine synthase Crithidia fasciculata 60000 ChEMBL 10.1016/s0960-894x(02)00489-4 10.7270/Q2057F8Z 12182858 Amssoms, K; Oza, SL; Ravaschino, E; Yamani, A; Lambeir, A; Rajan, P; Bal, G; Rodriguez, J; Fairlamb, AH; Augustyns, K; Haemers, A University of Antwerp (UIA) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117547 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50002841&target=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50117547&enzyme=Glutathionylspermidine+synthase&column=ki&startPg=0&Increment=50&submit=Search 9975360 104011098 CHEMBL313808 C03649 ZINC13817886 1 MSSLPHNHHYETHHRGTAEVPFDELIGVTPDGVPVISNGNEAHFSNLESITAACLPLSSFERKAPCKQPYRKMGVKWQCVEFVRRYLASRKAVWMTSLCTAEEVWREENLFVDVRDGRPVEVVRTPNKSTGPAPAVADIVVWGEGPETPFGHVAIVTEVCASCVRVAEQNQGFEKWPEDVPFSREIAMRTTESGEVELLDEDPLLGWVTVQAPFYNFDDGDLADSFRLVVGQGQILRQPFPKHVDVPWLNTGEECDTILKHSLVVDGNMGEGAHAEEGDVPGAFYFLDYDMFCRLGRAASSLHRIAMAATAKVLEDPESTHLLEHYFGVPPEIQPLLRRSWEMTPPMGGRFDFGYDGKNVVMLEYNCDSSGALLECCNTQEKMARFYGVSQGTSTGSFLGAKCVTYFQRLLTNEKVCPQHRLIHFMIDEDDEERYTARCMMGFAEQAGFRTKLCVKLVNFRYRDGPPSNAAPLATPCDHPTIVDGEDEEVLMVWKTWSWDTVLHQYHSQRSSSDAVNTPTLSDILLNNNIRVLEPLWKAVTGSKAILPFMHALAPDHEHMLAASFLPTREIISRHYISKPVNGRAGQNIMMYDPVTSPTELEGAPQQDICEALSQNASARSLLNGSPLPLSQSVDQTNECSPGKFFDSVLVYQQRLFLKKFDGKYFPIFCGWMVGDEFGGVVVREDTSKITKLSSMVVPARVVRDNVPLGVSYSDEGET Glutathionylspermidine synthase GSP_CRIFA P90518