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 PubChem SID 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 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 50130264 COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C InChI=1S/C22H24F6N4O3/c1-32(2)18-6-5-15(12-17(18)19(33)29-7-4-8-35-3)30-20(34)31-16-10-13(21(23,24)25)9-14(11-16)22(26,27)28/h5-6,9-12H,4,7-8H2,1-3H3,(H,29,33)(H2,30,31,34) TTXMIASHCRWOTD-UHFFFAOYSA-N 50171338 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-methoxy-propyl)-benzamide::CHEMBL363539 Beta-secretase 1/2 Homo sapiens 27000 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171338&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 5040262 104057583 CHEMBL363539 ZINC13652942 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130267 CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C InChI=1S/C21H27ClN4O3/c1-4-29-12-6-11-23-20(27)18-14-17(9-10-19(18)26(2)3)25-21(28)24-16-8-5-7-15(22)13-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3,(H,23,27)(H2,24,25,28) KTSSYRXXUBATJX-UHFFFAOYSA-N 50171337 5-[3-(3-Chloro-phenyl)-ureido]-2-dimethylamino-N-(3-ethoxy-propyl)-benzamide::CHEMBL190644 Beta-secretase 1/2 Homo sapiens 23 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171337&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 3948694 104057582 CHEMBL190644 ZINC13652941 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130269 CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1 InChI=1S/C13H14N4O2S2/c1-3-20-13-16-12(21-17-13)15-11(19)14-10-6-4-5-9(7-10)8(2)18/h4-7H,3H2,1-2H3,(H2,14,15,16,17,19) SVHVIRBGQRDCIB-UHFFFAOYSA-N 50171339 1-(3-Acetyl-phenyl)-3-(3-ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea::CHEMBL190346::cid_11198061 Beta-secretase 1/2 Homo sapiens 11 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171339&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 11198061 104057584 CHEMBL190346 ZINC13108136 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50130275 CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1 InChI=1S/C25H29F6N5O3/c1-35(2)21-5-4-18(15-20(21)22(37)32-6-3-7-36-8-10-39-11-9-36)33-23(38)34-19-13-16(24(26,27)28)12-17(14-19)25(29,30)31/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,37)(H2,33,34,38) HFELCWNEBIIAEQ-UHFFFAOYSA-N 50171340 5-[3-(3,5-Bis-trifluoromethyl-phenyl)-ureido]-2-dimethylamino-N-(3-morpholin-4-yl-propyl)-benzamide::CHEMBL370043 Beta-secretase 1/2 Homo sapiens 3.5 ChEMBL 10.1021/jm050499d 10.7270/Q228074P 16078830 Huang, D; Luthi, U; Kolb, P; Edler, K; Cecchini, M; Audetat, S; Barberis, A; Caflisch, A University of Zürich http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50171340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50171340&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 4243074 104057585 CHEMBL370043 ZINC28465989 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50202306 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 CQTBDEGWLSDJEP-JMAXQNTPSA-N 50100436 CHEMBL412768::NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn Beta-secretase 1/2 Homo sapiens 30 ChEMBL 10.1021/jm0004897 10.7270/Q27S7PGX 11405641 Wolfe, MS Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100436 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100436&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 16149643 103997206 CHEMBL412768 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 50202308 CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1 MURCDOXDAHPNRQ-ZJKZPDEISA-N 50100434 CHEMBL302004::L-68458::L-685458::tert-butyl (2S,3R,5R)-5-(((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-3-hydroxy-1,6-diphenylhexan-2-ylcarbamate::tert-butyl(2S,3R,5R)-6-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-ylcarbamate::{(1S,2R)-1-Benzyl-4-[(R)-1-((S)-(S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester::{1-Benzyl-4-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester Beta-secretase 1/2 Homo sapiens 300 ChEMBL 10.1021/jm0004897 10.7270/Q27S7PGX 11405641 Wolfe, MS Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50100434 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50100434&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search FTO 7D8X,7C9I 5479543 103997204 74921 CHEMBL302004 ZINC26179223 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51148088 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(N)=O InChI=1S/C31H51N5O6/c1-8-20(6)28(36-30(41)25(33-21(7)37)16-22-12-10-9-11-13-22)31(42)35-23(14-18(2)3)26(38)17-27(39)34-24(29(32)40)15-19(4)5/h9-13,18-20,23-26,28,38H,8,14-17H2,1-7H3,(H2,32,40)(H,33,37)(H,34,39)(H,35,42)(H,36,41)/t20-,23?,24-,25-,26?,28-/m0/s1 PEBYGUVRNBCJFE-MNDXDYIUSA-N 50470133 CHEMBL277046 Beta-secretase 1/2 Homo sapiens 1400 ChEMBL 10.1021/jm00035a001 10.7270/Q2GT5QWG 8176700 Gallop, MA; Barrett, RW; Dower, WJ; Fodor, SP; Gordon, EM Affymax Research Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50470133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50470133&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 44457816 433937398 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194218 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1 LOLRSSGXRIPFCB-OAHLLOKOSA-N 186053 US9163011, 7 Beta-secretase 1/2 Homo sapiens 27 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186053&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71529262 315658588 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194219 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1 PSPGXNMAHYIESQ-LJQANCHMSA-N 186050 US9163011, 4 Beta-secretase 1/2 Homo sapiens 49 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186050&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71273947 315658585 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194228 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1 CGFNKFZCIRBOAD-OAHLLOKOSA-N 186055 US9163011, 9 Beta-secretase 1/2 Homo sapiens 12 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186055&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71273898 315658590 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194230 CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1 VZKPBWICQCZMIB-GOSISDBHSA-N 186049 US9163011, 3 Beta-secretase 1/2 Homo sapiens 7.0 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186049&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71274016 315658584 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194233 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1 PUANGZKWYIUWGX-CQSZACIVSA-N 186075 US9163011, 30 Beta-secretase 1/2 Homo sapiens 13 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186075&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71529426 315658610 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194238 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1 FKUWIXCLOXGDMB-MRXNPFEDSA-N 186057 US9163011, 11 Beta-secretase 1/2 Homo sapiens 440 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186057&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71529265 315658592 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194239 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1 XZRLHXIFWZKMCO-MRXNPFEDSA-N 186048 US9163011, 2 Beta-secretase 1/2 Homo sapiens 8.0 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186048&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71274019 315658583 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1 51194241 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1 ZWUWGLTVWPXQQS-MRXNPFEDSA-N 186080 US9163011, 35 Beta-secretase 1/2 Homo sapiens 7.0 ChEMBL 10.1021/ml400104f 10.7270/Q24M97F6 24900690 Rosse, G Dart Neuroscience LLC http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50000766&target=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=186080&enzyme=Beta-secretase+1%2F2&column=ki&startPg=0&Increment=50&submit=Search 71529465 315658615 2 MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK 2EWY,3ZKM,3ZKN,3ZKQ,3ZKS,4BEL,4BFB,6JSZ,7D5B,7D5U,7F1G,7N4N Beta-secretase 2 BACE2_HUMAN Q9Y5Z0 A8K7P1 Q5DIH8 Q8N2D4 Q9H2V8 Q9NZL1 Q9NZL2 Q9UJT6 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK 1FKN,1M4H,1SGZ,1XN2,1XN3,1XS7,1YM2,1YM4,2F3E,2F3F,2FDP,2G94,2HIZ,2HM1,2IQG,2P4J,2P83,2QK5,2QMD,2QMF,2QMG,2QP8,2QU2,2QU3,2VKM,2WJO,2ZDZ,2ZE1,2ZHR,2ZHS,2ZHT,2ZHU,2ZHV,2ZJN,3CIB,3CIC,3CID,3DUY,3DV1,3DV5,3H0B,3IGB,3IN3,3IN4,3IND,3INE,3INF,3INH,3IVH,3IVI,3IXJ,3IXK,3K5C,3K5D,3K5F,3K5G,3KMX,3KMY,3KN0,3KYR,3L38,3L3A,3L58,3L59,3L5B,3L5C,3L5D,3L5E,3L5F,3LHG,3LNK,3LPI,3LPJ,3LPK,3MSK,3MSL,3N4L,3NSH,3OHF,3OHH,3OOZ,3PI5,3QBH,3R2F,3S2O,3S7L,3S7M,3SKF,3SKG,3TPR,3U6A,3UDH,3UDJ,3UDK,3UDM,3UDN,3UDP,3UDQ,3UDR,3UDY,3UFL,3UQR,3VEU,3VF3,3VG1,3VV6,3VV7,3VV8,3WB4,3WB5,4B0Q,4B1C,4B1D,4B1E,4B70,4B72,4B77,4B78,4D83,4D85,4D88,4D89,4D8C,4DJU,4DJV,4DJW,4DJX,4DJY,4DPF,4DPI,4EWO,4EXG,4FM7,4FM8,4FRS,4FS4,4FSE,4GID,4GMI,4H1E,4H3F,4H3G,4H3I,4H3J,4HA5,4HZT,4I0D,4I0E,4I0F,4I0G,4I0H,4I0I,4I0J,4I0Z,4I10,4I11,4I12,4I1C,4JOO,4JP9,4JPC,4JPE,4K8S,4K9H,4LC7,4LXA,4LXK,4LXM,4N00,4PZW,4PZX,4R5N,4R8Y,4R91,4R92,4R93,4R95,4RRN,4RRO,4RRS,4TRW,4TRY,4TRZ,4WY1,4WY6,4X2L,4X7I,4XXS,4YBI,4ZSM,4ZSP,4ZSQ,4ZSR,5DQC,5ENK,5ENM,5HD0,5HDU,5HDV,5HDX,5HDZ,5HE4,5HE5,5HE7,5HTZ,5HU0,5HU1,5KQF,5KR8,5MBW,5MCQ,5MXD,5QCO,5QCP,5QCQ,5QCR,5QCS,5QCT,5QCU,5QCV,5QCW,5QCX,5QCY,5QCZ,5QD0,5QD1,5QD2,5QD3,5QD4,5QD5,5QD6,5QD7,5QD8,5QD9,5QDA,5QDB,5QDC,5QDD,5T1U,5T1W,5V0N,5YGX,5YGY,6BFD,6BFE,6BFW,6BFX,6DHC,6E3Z,6EJ3,6EQM,6JSE,6JSF,6JSG,6JSN,6JT3,6JT4,6NV7,6NV9,6NW3,6OD6,6PZ4,6UVP,6UVV,6UVY,6UWP,6UWV,7B1E,7B1P,7B1Q,7D2V,7D2X,7D36,7D5A,7DCZ,7F1D,7MYI,7MYR,7MYU,7N66 Beta-secretase 1 BACE1_HUMAN P56817 A0M8W7 B0YIU9 E9PE65 H7BXJ9 Q9BYB9 Q9BYC0 Q9BYC1 Q9UJT5 Q9ULS1