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 29100 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](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/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1 NIOCOJFPGCXNKL-ZKZXETMPSA-N 16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 Beta-secretase 1 [1-453] Homo sapiens 0.6 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16047 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16047&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 1FKN 445649 46514309 CHEMBL78946 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29101 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(O)=O InChI=1S/C27H48N6O10/c1-12(2)9-17(19(34)10-14(5)23(38)30-15(6)27(42)43)31-25(40)18(11-20(29)35)32-26(41)22(13(3)4)33-24(39)16(28)7-8-21(36)37/h12-19,22,34H,7-11,28H2,1-6H3,(H2,29,35)(H,30,38)(H,31,40)(H,32,41)(H,33,39)(H,36,37)(H,42,43)/t14-,15+,16+,17+,18+,19+,22+/m1/s1 BDWVJQLEYVUBNR-QHBRNMCNSA-N 16048 (4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1R,3S,4S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid::truncated OM99-2 acyclic analog 2 Beta-secretase 1 [1-453] Homo sapiens 12 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16048 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16048&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11330997 46509481 ZINC14960465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29102 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C43H66N8O14/c1-21(2)18-29(48-41(62)30(20-32(45)52)49-42(63)35(22(3)4)51-39(60)27(44)14-16-33(53)54)36(57)25-12-9-13-26(25)38(59)46-23(5)37(58)47-28(15-17-34(55)56)40(61)50-31(43(64)65)19-24-10-7-6-8-11-24/h6-8,10-11,21-23,25-31,35-36,57H,9,12-20,44H2,1-5H3,(H2,45,52)(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,61)(H,51,60)(H,53,54)(H,55,56)(H,64,65)/t23-,25+,26+,27-,28-,29-,30-,31-,35-,36-/m0/s1 SEJYUEISOCTKKB-SABPYFDQSA-N 16049 (4S)-4-[(2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-1-hydroxy-4-methylpentyl]cyclopentyl]formamido}propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::N-{[(1R,2R)-2-{(1S,2S)-2-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-1-hydroxy-4-methylpentyl}cyclopentyl]carbonyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2 cyclopentano analog 3 Beta-secretase 1 [1-453] Homo sapiens 16 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16049 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16049&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11205295 46514310 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29103 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C34H57N7O13/c1-15(2)13-22(28(47)18-7-6-8-19(18)30(49)37-17(5)29(48)38-21(34(53)54)10-12-26(45)46)39-32(51)23(14-24(36)42)40-33(52)27(16(3)4)41-31(50)20(35)9-11-25(43)44/h15-23,27-28,47H,6-14,35H2,1-5H3,(H2,36,42)(H,37,49)(H,38,48)(H,39,51)(H,40,52)(H,41,50)(H,43,44)(H,45,46)(H,53,54)/t17-,18+,19+,20-,21-,22-,23-,27-,28-/m0/s1 NGIXWTSVKCQVKA-GFZHAUIISA-N 16050 (2S)-2-[(2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-1-hydroxy-4-methylpentyl]cyclopentyl]formamido}propanamido]pentanedioic acid::L-alpha-glutamyl-L-valyl-N1-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-2-{[(1S)-1,3-dicarboxypropyl]amino}-1-methyl-2-oxoethyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-aspartamide::truncated OM99-2 cyclopentano analog 4 Beta-secretase 1 [1-453] Homo sapiens 40 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16050&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11308746 46514311 ZINC95543155 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29104 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O InChI=1S/C29H50N6O10/c1-13(2)11-19(24(39)16-7-6-8-17(16)25(40)32-15(5)29(44)45)33-27(42)20(12-21(31)36)34-28(43)23(14(3)4)35-26(41)18(30)9-10-22(37)38/h13-20,23-24,39H,6-12,30H2,1-5H3,(H2,31,36)(H,32,40)(H,33,42)(H,34,43)(H,35,41)(H,37,38)(H,44,45)/t15-,16+,17+,18-,19-,20-,23-,24-/m0/s1 WQVHGVDOXBCVGL-ZPWOCEPRSA-N 16051 (4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S,2S)-1-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}cyclopentyl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid::L-alpha-glutamyl-L-valyl-N1-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-aspartamide::NVP-AMK640::truncated OM99-2 cyclopentano analog 5 Beta-secretase 1 [1-453] Homo sapiens 39 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16051 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16051&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 1YM4 5494406 46509482 ZINC24708414 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29105 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O InChI=1S/C28H50N4O7S/c1-15(2)13-22(24(34)19-9-8-10-20(19)25(35)29-17(5)28(38)39)32-26(36)21(11-12-40-7)31-27(37)23(14-16(3)4)30-18(6)33/h15-17,19-24,34H,8-14H2,1-7H3,(H,29,35)(H,30,33)(H,31,37)(H,32,36)(H,38,39)/t17-,19+,20+,21-,22-,23-,24-/m0/s1 RNDOBIYDOQJUSG-NIEJSUMHSA-N 16052 (2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-1-hydroxy-4-methylpentyl]cyclopentyl]formamido}propanoic acid::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 36 Beta-secretase 1 [1-453] Homo sapiens 600 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16052 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16052&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11284734 46509483 ZINC14960469 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29106 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O InChI=1S/C30H54N4O7S/c1-16(2)14-23(26(36)20-10-9-11-21(20)27(37)34-25(18(5)6)30(40)41)33-28(38)22(12-13-42-8)32-29(39)24(15-17(3)4)31-19(7)35/h16-18,20-26,36H,9-15H2,1-8H3,(H,31,35)(H,32,39)(H,33,38)(H,34,37)(H,40,41)/t20-,21-,22+,23+,24+,25+,26+/m1/s1 CNPSOKHTVYNFTA-XRVGGGAJSA-N 16053 (2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-1-hydroxy-4-methylpentyl]cyclopentyl]formamido}-3-methylbutanoic acid::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 40 Beta-secretase 1 [1-453] Homo sapiens 190 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16053&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11204313 46509484 ZINC14960473 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29107 CCCCNC(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C32H59N5O6S/c1-9-10-15-33-29(40)21(6)34-30(41)24-13-11-12-23(24)28(39)26(17-19(2)3)37-31(42)25(14-16-44-8)36-32(43)27(18-20(4)5)35-22(7)38/h19-21,23-28,39H,9-18H2,1-8H3,(H,33,40)(H,34,41)(H,35,38)(H,36,43)(H,37,42)/t21-,23+,24+,25-,26-,27-,28-/m0/s1 PDMJXGTWNFUAHY-STTADNJNSA-N 16054 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)ethyl]carbamoyl}cyclopentyl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-2-(butylamino)-1-methyl-2-oxoethyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 46 Beta-secretase 1 [1-453] Homo sapiens 185 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16054&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11169672 46514650 ZINC28473759 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29108 CCCCNC(=O)[C@@H](NC(=O)[C@@H]1CCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C34H63N5O6S/c1-10-11-16-35-34(45)29(22(6)7)39-31(42)25-14-12-13-24(25)30(41)27(18-20(2)3)38-32(43)26(15-17-46-9)37-33(44)28(19-21(4)5)36-23(8)40/h20-22,24-30,41H,10-19H2,1-9H3,(H,35,45)(H,36,40)(H,37,44)(H,38,43)(H,39,42)/t24-,25-,26+,27+,28+,29+,30+/m1/s1 NSCCXVGDPMXPML-WKXXOEGVSA-N 16055 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}cyclopentyl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 47 Beta-secretase 1 [1-453] Homo sapiens 25 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16055&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11227663 46514670 ZINC28465458 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29109 CCCCNC(=O)[C@@H]1CCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C29H54N4O5S/c1-8-9-14-30-27(36)22-12-10-11-21(22)26(35)24(16-18(2)3)33-28(37)23(13-15-39-7)32-29(38)25(17-19(4)5)31-20(6)34/h18-19,21-26,35H,8-17H2,1-7H3,(H,30,36)(H,31,34)(H,32,38)(H,33,37)/t21-,22-,23+,24+,25+,26+/m1/s1 JBJCTWNYERPXPJ-TXEXXNSLSA-N 16056 (1R,2R)-N-butyl-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-1-hydroxy-4-methylpentyl]cyclopentane-1-carboxamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-(butylcarbamoyl)cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 50 Beta-secretase 1 [1-453] Homo sapiens 1820 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16056&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11307634 46509485 ZINC14960477 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29110 CCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)C[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C34H61N5O7S/c1-10-11-13-35-34(46)29(21(6)7)39-31(43)25-18-23(41)17-24(25)30(42)27(15-19(2)3)38-32(44)26(12-14-47-9)37-33(45)28(16-20(4)5)36-22(8)40/h19-21,24-30,42H,10-18H2,1-9H3,(H,35,46)(H,36,40)(H,37,45)(H,38,44)(H,39,43)/t24-,25-,26+,27+,28+,29+,30+/m1/s1 YFDLSIPCLMLOKZ-WKXXOEGVSA-N 16057 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-4-oxocyclopentyl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-4-oxocyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::NVP-AUR200::Val-NHBu deriv. 45 Beta-secretase 1 [1-453] Homo sapiens 10 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16057&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 1YM2 5494410 46516084 ZINC24708402 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29111 CCCCNC(=O)[C@@H](NC(=O)[C@@H]1CN(C)C[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C34H64N6O6S/c1-11-12-14-35-34(46)29(22(6)7)39-31(43)25-19-40(9)18-24(25)30(42)27(16-20(2)3)38-32(44)26(13-15-47-10)37-33(45)28(17-21(4)5)36-23(8)41/h20-22,24-30,42H,11-19H2,1-10H3,(H,35,46)(H,36,41)(H,37,45)(H,38,44)(H,39,43)/t24-,25-,26+,27+,28+,29+,30+/m1/s1 HLOFNAVESBZXMZ-WKXXOEGVSA-N 16058 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(3S,4S)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-methylpyrrolidin-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(3S,4S)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-methylpyrrolidin-3-yl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::Val-NHBu deriv. 53 Beta-secretase 1 [1-453] Homo sapiens 3440 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16058&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11468096 46516085 ZINC28468510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29112 CCCCNC(=O)[C@@H](NC(=O)[C@H]1[C@@H](CN(CC)C1=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C35H64N6O7S/c1-11-13-15-36-34(47)29(22(7)8)40-33(46)28-24(19-41(12-2)35(28)48)30(43)26(17-20(3)4)39-31(44)25(14-16-49-10)38-32(45)27(18-21(5)6)37-23(9)42/h20-22,24-30,43H,11-19H2,1-10H3,(H,36,47)(H,37,42)(H,38,45)(H,39,44)(H,40,46)/t24-,25+,26+,27+,28-,29+,30+/m1/s1 LJQSJZUBYZIPHW-OVNATMPLSA-N 16059 (2S)-N-[(1S)-1-{[(1S,2S)-1-[(3S,4R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-ethyl-5-oxopyrrolidin-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(3S,4R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-ethyl-5-oxopyrrolidin-3-yl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::Val-NHBu deriv. 55 Beta-secretase 1 [1-453] Homo sapiens 3350 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16059&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11262610 46516086 ZINC28467520 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29113 CCCCNC(=O)[C@@H](NC(=O)[C@H]1[C@@H](CC(=O)N1C)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C34H62N6O7S/c1-11-12-14-35-33(46)28(21(6)7)39-34(47)29-23(18-27(42)40(29)9)30(43)25(16-19(2)3)38-31(44)24(13-15-48-10)37-32(45)26(17-20(4)5)36-22(8)41/h19-21,23-26,28-30,43H,11-18H2,1-10H3,(H,35,46)(H,36,41)(H,37,45)(H,38,44)(H,39,47)/t23-,24+,25+,26+,28+,29-,30+/m1/s1 PLLLMPIFDXSMBW-LPSPMJPZSA-N 16060 (2R,3R)-3-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-hydroxy-4-methyl-pentyl]-N-[(1S)-1-(butylcarbamoyl)-2-methyl-propyl]-1-methyl-5-oxo-pyrrolidine-2-carboxamide::(2S)-N-[(1S)-1-{[(1S,2S)-1-[(2R,3R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-methyl-5-oxopyrrolidin-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::Val-NHBu deriv. 57 Beta-secretase 1 [1-453] Homo sapiens <10 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16060&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 6918853 46516088 ZINC28466932 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29114 CCCCNC(=O)[C@@H](NC(=O)[C@@H]1OCC[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C InChI=1S/C33H61N5O7S/c1-10-11-14-34-32(43)27(21(6)7)38-33(44)29-23(12-15-45-29)28(40)25(17-19(2)3)37-30(41)24(13-16-46-9)36-31(42)26(18-20(4)5)35-22(8)39/h19-21,23-29,40H,10-18H2,1-9H3,(H,34,43)(H,35,39)(H,36,42)(H,37,41)(H,38,44)/t23-,24-,25-,26-,27-,28-,29+/m0/s1 JDHQSWMNLJMUKT-VJSPYQHWSA-N 16061 (2R,3S)-3-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-hydroxy-4-methyl-pentyl]-N-[(1S)-1-(butylcarbamoyl)-2-methyl-propyl]oxolane-2-carboxamide::(2S)-N-[(1S)-1-{[(1S,2S)-1-[(2R,3S)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}oxolan-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide::Val-NHBu deriv. 59 Beta-secretase 1 [1-453] Homo sapiens 9560 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16061&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11193205 46516089 ZINC28465930 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29115 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C)C(O)=O InChI=1S/C28H48N4O8S/c1-14(2)10-22(24(35)19-12-18(34)13-20(19)25(36)29-16(5)28(39)40)32-26(37)21(8-9-41-7)31-27(38)23(11-15(3)4)30-17(6)33/h14-16,19-24,35H,8-13H2,1-7H3,(H,29,36)(H,30,33)(H,31,38)(H,32,37)(H,39,40)/t16-,19+,20+,21-,22-,23-,24-/m0/s1 GPLMKVIDPMVWFS-SAEJZUBTSA-N 16062 (2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-1-hydroxy-4-methylpentyl]-4-oxocyclopentyl]formamido}propanoic acid::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}-4-oxocyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 35 Beta-secretase 1 [1-453] Homo sapiens 720 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16062&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11410845 46509486 ZINC14960481 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29116 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H]1CC(=C)C[C@H]1C(=O)N[C@@H](C)C(O)=O InChI=1S/C29H50N4O7S/c1-15(2)11-23(25(35)20-13-17(5)14-21(20)26(36)30-18(6)29(39)40)33-27(37)22(9-10-41-8)32-28(38)24(12-16(3)4)31-19(7)34/h15-16,18,20-25,35H,5,9-14H2,1-4,6-8H3,(H,30,36)(H,31,34)(H,32,38)(H,33,37)(H,39,40)/t18-,20+,21+,22-,23-,24-,25-/m0/s1 KLXFKINZDOQFLH-ZJVUHNRSSA-N 16063 (2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-1-hydroxy-4-methylpentyl]-4-methylidenecyclopentyl]formamido}propanoic acid::N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-carboxyethyl]carbamoyl}-4-methylidenecyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide::truncated OM99-2 cyclopentano analog 34 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm050142+ 10.7270/Q2WM1BPC 16078837 aid1797461 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16063&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11319368 46509487 ZINC14960486 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29134 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H48N4O6S2/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-37-12-9-10-13-38-16-20(30-25(35)36-26(4,5)6)24(34)28-18(3)23(33)29-19/h17-21,31H,7-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/t17-,18+,19+,20+,21+/m1/s1 BPAQPSPAKQECRH-SYAJIYQZSA-N 16064 dithia macrocycle compound 23::tert-butyl N-[(3R,6S,9R)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadecan-9-yl]carbamate::tert-butyl {(3R,6S,9R)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadecan-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 20000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16064&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846304 46516326 ZINC14960490 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29135 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C27H50N4O6S2/c1-7-8-12-28-23(33)18(2)15-22(32)20-16-38-13-10-9-11-14-39-17-21(31-26(36)37-27(4,5)6)25(35)29-19(3)24(34)30-20/h18-22,32H,7-17H2,1-6H3,(H,28,33)(H,29,35)(H,30,34)(H,31,36)/t18-,19+,20+,21+,22+/m1/s1 QIZVESZBDMJHKA-FXTUREPZSA-N 16065 dithia macrocycle compound 24::tert-butyl N-[(3R,6S,9R)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclohexadecan-9-yl]carbamate::tert-butyl {(3R,6S,9R)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclohexadecan-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 16900 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16065&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846305 46509488 ZINC14960494 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29136 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C28H52N4O6S2/c1-7-8-13-29-24(34)19(2)16-23(33)21-17-39-14-11-9-10-12-15-40-18-22(32-27(37)38-28(4,5)6)26(36)30-20(3)25(35)31-21/h19-23,33H,7-18H2,1-6H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)/t19-,20+,21+,22+,23+/m1/s1 NOOSPYIDAYECEH-QCBQRGATSA-N 16066 dithia macrocycle compound 25::tert-butyl N-[(3R,6S,9R)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-9-yl]carbamate::tert-butyl {(3R,6S,9R)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16066&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846965 46509489 ZINC14960498 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29137 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)cc2 InChI=1S/C30H48N4O6S2/c1-7-8-13-31-26(36)19(2)14-25(35)23-17-41-15-21-9-11-22(12-10-21)16-42-18-24(34-29(39)40-30(4,5)6)28(38)32-20(3)27(37)33-23/h9-12,19-20,23-25,35H,7-8,13-18H2,1-6H3,(H,31,36)(H,32,38)(H,33,37)(H,34,39)/t19-,20+,23+,24+,25+/m1/s1 MTACWIVLLGYNCN-PPVYVLOYSA-N 16067 dithia macrocycle compound 26::tert-butyl N-[(5R,8S,11R)-5-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-11-yl]carbamate::tert-butyl [(5R,8S,11R)-5-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-11-yl]carbamate Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16067&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846306 46509490 ZINC14960502 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29138 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H46N4O6S2/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-37-12-9-10-13-38-16-20(30-25(35)36-26(4,5)6)24(34)28-18(3)23(33)29-19/h9-10,17-21,31H,7-8,11-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/b10-9-/t17-,18+,19+,20+,21+/m1/s1 AFFLBRXMACQRSP-HZNHDJAFSA-N 16068 dithia macrocycle compound 27::tert-butyl N-[(3R,6S,9R,13Z)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13Z)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 9000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16068&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846473 46516329 ZINC14960506 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29139 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H46N4O6S2/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-37-12-9-10-13-38-16-20(30-25(35)36-26(4,5)6)24(34)28-18(3)23(33)29-19/h9-10,17-21,31H,7-8,11-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/b10-9+/t17-,18+,19+,20+,21+/m1/s1 AFFLBRXMACQRSP-FMUXCGTLSA-N 16069 dithia macrocycle compound 28::tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 1300 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16069&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846966 46516330 ZINC14960510 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29140 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C23H42N4O5S2/c1-5-6-9-24-21(30)15(2)12-20(29)18-13-33-10-7-8-11-34-14-19(26-17(4)28)23(32)25-16(3)22(31)27-18/h15-16,18-20,29H,5-14H2,1-4H3,(H,24,30)(H,25,32)(H,26,28)(H,27,31)/t15-,16+,18+,19+,20+/m1/s1 YVEYBTMFDSNOKH-JVJLKXRTSA-N 16070 (2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadecan-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3R,6S,9R)-9-acetamido-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadecan-3-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 29 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16070&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846474 46516331 ZINC14960514 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29141 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H44N4O5S2/c1-5-6-10-25-22(31)16(2)13-21(30)19-14-34-11-8-7-9-12-35-15-20(27-18(4)29)24(33)26-17(3)23(32)28-19/h16-17,19-21,30H,5-15H2,1-4H3,(H,25,31)(H,26,33)(H,27,29)(H,28,32)/t16-,17+,19+,20+,21+/m1/s1 VYXXFBVJGVSFAC-DIZVHYTASA-N 16071 (2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclohexadecan-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3R,6S,9R)-9-acetamido-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclohexadecan-3-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 30 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16071&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846475 46516332 ZINC14960518 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29142 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H46N4O5S2/c1-5-6-11-26-23(32)17(2)14-22(31)20-15-35-12-9-7-8-10-13-36-16-21(28-19(4)30)25(34)27-18(3)24(33)29-20/h17-18,20-22,31H,5-16H2,1-4H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)/t17-,18+,20+,21+,22+/m1/s1 WXFJCFOXVBDBRG-NQOGSSOHSA-N 16072 (2R,4S)-4-[(3R,6S,9R)-9-(acetylamino)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3R,6S,9R)-9-acetamido-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacycloheptadecan-3-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 31 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16072&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846967 46516333 ZINC14960522 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29143 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1)cc2 InChI=1S/C27H42N4O5S2/c1-5-6-11-28-25(34)17(2)12-24(33)22-15-37-13-20-7-9-21(10-8-20)14-38-16-23(30-19(4)32)27(36)29-18(3)26(35)31-22/h7-10,17-18,22-24,33H,5-6,11-16H2,1-4H3,(H,28,34)(H,29,36)(H,30,32)(H,31,35)/t17-,18+,22+,23+,24+/m1/s1 HMRRLDIAPZTWOI-IEWPRLFMSA-N 16073 (2R,4S)-4-[(5R,8S,11R)-11-(acetylamino)-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-5-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(5R,8S,11R)-11-acetamido-8-methyl-7,10-dioxo-3,13-dithia-6,9-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-5-yl]-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 32 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16073&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846476 46516334 ZINC14960526 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29144 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C21H37N3O4S2/c1-4-5-9-22-20(27)15(2)13-18(25)17-14-30-11-7-6-10-29-12-8-19(26)23-16(3)21(28)24-17/h6-7,15-18,25H,4-5,8-14H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)/b7-6-/t15-,16+,17+,18+/m1/s1 SZQXWWGPBYKSPP-PAXAMTNXSA-N 16074 (2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3R,6S,13Z)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-3-yl]butanamide::dithia macrocycle compound 34 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16074&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846968 46516335 ZINC14960530 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29145 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C21H37N3O4S2/c1-4-5-9-22-20(27)15(2)13-18(25)17-14-30-11-7-6-10-29-12-8-19(26)23-16(3)21(28)24-17/h6-7,15-18,25H,4-5,8-14H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)/b7-6+/t15-,16+,17+,18+/m1/s1 SZQXWWGPBYKSPP-YZWLLOJKSA-N 16075 (2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3R,6S,13E)-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-3-yl]butanamide::dithia macrocycle compound 35 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16075&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846478 46516336 ZINC14960534 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29146 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](N)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C21H38N4O4S2/c1-4-5-8-23-19(27)14(2)11-18(26)17-13-31-10-7-6-9-30-12-16(22)21(29)24-15(3)20(28)25-17/h6-7,14-18,26H,4-5,8-13,22H2,1-3H3,(H,23,27)(H,24,29)(H,25,28)/b7-6+/t14-,15+,16+,17+,18+/m1/s1 QYSCOHAPCWUIOV-XRDOCWIKSA-N 16076 (2R,4S)-4-[(3R,6S,9R,13E)-9-amino-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::dithia macrocycle compound 102 Beta-secretase 1 [1-453] Homo sapiens >10000 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16076&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 23647294 46516337 ZINC14960537 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29147 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C25H48N4O5/c1-9-10-11-26-23(32)17(6)14-22(31)20(12-15(2)3)29-24(33)18(7)27-25(34)21(13-16(4)5)28-19(8)30/h15-18,20-22,31H,9-14H2,1-8H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)/t17-,18+,20+,21+,22+/m1/s1 YBUAWZQWIXYUFU-NQOGSSOHSA-N 16077 (2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]propanamido]-4-hydroxy-2,7-dimethyloctanamide::open-chain analog 103 Beta-secretase 1 [1-453] Homo sapiens 120 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16077&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 23647295 46516338 ZINC14960540 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29148 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(C)=O InChI=1S/C26H50N4O5/c1-10-11-12-27-24(33)18(6)15-23(32)21(13-16(2)3)29-25(34)19(7)30(9)26(35)22(14-17(4)5)28-20(8)31/h16-19,21-23,32H,10-15H2,1-9H3,(H,27,33)(H,28,31)(H,29,34)/t18-,19+,21+,22+,23+/m1/s1 NFAPUBHYOPMZSK-RNTGTLJKSA-N 16078 (2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-N,4-dimethylpentanamido]propanamido]-4-hydroxy-2,7-dimethyloctanamide::open-chain analog 104 Beta-secretase 1 [1-453] Homo sapiens 100 4.5 22.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16078&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 23647296 46516339 ZINC14960544 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29149 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COCCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H48N4O8/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-36-12-9-10-13-37-16-20(30-25(35)38-26(4,5)6)24(34)28-18(3)23(33)29-19/h17-21,31H,7-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/t17-,18+,19+,20+,21+/m1/s1 CXFZVMNJDDJQGD-SYAJIYQZSA-N 16079 oxygen-linked macrocycle compound 16::tert-butyl N-[(3S,6S,9S)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecan-9-yl]carbamate::tert-butyl {(3S,6S,9S)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadecan-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16079&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846815 46516340 ZINC14960548 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29150 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H46N4O8/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-36-12-9-10-13-37-16-20(30-25(35)38-26(4,5)6)24(34)28-18(3)23(33)29-19/h9-10,17-21,31H,7-8,11-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/b10-9-/t17-,18+,19+,20+,21+/m1/s1 ROPUFHDVQJKHLC-HZNHDJAFSA-N 16080 Olefins were mixtures of cis and trans isomers.::oxygen-linked macrocycle compound 15::tert-butyl N-[(3S,6S,9S,13Z)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3S,6S,9S,13Z)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dioxa-4,7-diazacyclopentadec-13-en-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 20300 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16080&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846138 46516341 ZINC14960552 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29151 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H46N4O7S/c1-7-8-11-27-22(32)17(2)14-21(31)19-15-36-12-9-10-13-38-16-20(30-25(35)37-26(4,5)6)24(34)28-18(3)23(33)29-19/h9-10,17-21,31H,7-8,11-16H2,1-6H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/b10-9-/t17-,18+,19+,20+,21+/m1/s1 OSGQGACLOZKMGC-HZNHDJAFSA-N 16081 Olefins were mixtures of cis and trans isomers.::oxygen-linked macrocycle compound 17::tert-butyl N-[(3S,6S,9R,13Z)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3S,6S,9R,13Z)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 510 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16081&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846139 46516342 ZINC14960556 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29152 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C23H40N4O6S/c1-5-6-9-24-21(30)15(2)12-20(29)18-13-33-10-7-8-11-34-14-19(26-17(4)28)23(32)25-16(3)22(31)27-18/h7-8,15-16,18-20,29H,5-6,9-14H2,1-4H3,(H,24,30)(H,25,32)(H,26,28)(H,27,31)/b8-7-/t15-,16+,18+,19+,20+/m1/s1 WNCWRKVDDYUUDN-DHMZKZOISA-N 16082 (2R,4S)-4-[(3S,6S,9R,13Z)-9-(acetylamino)-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-3-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-[(3S,6S,9R,13Z)-9-acetamido-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-3-yl]-4-hydroxy-2-methylbutanamide::Olefins were mixtures of cis and trans isomers.::oxygen-linked macrocycle compound 18 Beta-secretase 1 [1-453] Homo sapiens 1120 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16082&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846301 46516343 ZINC14960560 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29153 CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C InChI=1S/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11-/t20-,21+,22+,23+,24+,25+/m1/s1 YFVXRNZNJJXEKV-XXMMLETASA-N 16083 cis-dithia macrocycle compound 41::tert-butyl N-[(3R,6S,9R,13Z)-3-[(1S,3R)-3-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13Z)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate Beta-secretase 1 [1-453] Homo sapiens 1970 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16083&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11846645 46509491 ZINC34802590 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29154 CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C InChI=1S/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11+/t20-,21+,22+,23+,24+,25+/m1/s1 YFVXRNZNJJXEKV-DYASFXQMSA-N 16084 AXQ093::tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-3-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate::trans-dithia macrocycle compound 42 Beta-secretase 1 [1-453] Homo sapiens 156 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16084&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search AXQ 2F3E,5QD4 9547928 46509492 ZINC24748886 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29155 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@@H]2CNCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H42N4O4S2/c1-4-5-9-26-22(30)16(2)13-20(29)19-15-33-11-6-7-12-34-21-14-25-10-8-18(21)24(32)27-17(3)23(31)28-19/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1 LDEJWKJPGCUIHM-NFXSCPKSSA-N 16085 (2R,4S)-4-[(8R,11S,13aR,17aS)-11-methyl-10,13-dioxo-2H,5H,7H,8H,9H,10H,11H,12H,13H,13aH,14H,15H,16H,17H,17aH-pyrido[4,3-i][,,,]cyclopentadecan-8-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3E,8R,11S,13aR,17aS)-11-methyl-10,13-dioxo-2,5,8,9,10,11,12,13,13a,14,15,16,17,17a-tetradecahydro-7H-pyrido[4,3-i][1,11,4,7]dithiadiazacyclopentadecin-8-yl]butanamide::bicyclic macrocycle compound 69 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16085&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845069 46516346 ZINC14960565 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29156 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H42N4O4S2/c1-4-5-9-26-22(30)16(2)13-20(29)19-15-33-11-6-7-12-34-21-14-25-10-8-18(21)24(32)27-17(3)23(31)28-19/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18-,19+,20+,21+/m1/s1 LDEJWKJPGCUIHM-PXEGCOJBSA-N 16086 (2R,4S)-4-[(8R,11S,13aS,17aR)-11-methyl-10,13-dioxo-2H,5H,7H,8H,9H,10H,11H,12H,13H,13aH,14H,15H,16H,17H,17aH-pyrido[4,3-i][,,,]cyclopentadecan-8-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3E,8R,11S,13aS,17aR)-11-methyl-10,13-dioxo-2,5,8,9,10,11,12,13,13a,14,15,16,17,17a-tetradecahydro-7H-pyrido[4,3-i][1,11,4,7]dithiadiazacyclopentadecin-8-yl]butanamide::bicyclic macrocycle compound 63 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16086&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845063 46516347 ZINC14960569 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29157 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@@H]2CCCN[C@@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20-,21+/m1/s1 FIWCVIADXWJIGF-XTUAZRNNSA-N 16087 (2R,4S)-4-[(4aR,12R,15S,17aR)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aR,7E,12R,15S,17aR)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide::bicyclic macrocycle compound 54 Beta-secretase 1 [1-453] Homo sapiens 12000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16087&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11847590 46516348 ZINC14960573 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29158 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H42N4O4S2/c1-4-5-10-26-22(30)16(2)14-19(29)18-15-33-12-6-7-13-34-20-9-8-11-25-21(20)24(32)27-17(3)23(31)28-18/h6-7,16-21,25,29H,4-5,8-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b7-6+/t16-,17+,18+,19+,20+,21-/m1/s1 FIWCVIADXWJIGF-NFXSCPKSSA-N 16088 (2R,4S)-4-[(4aS,12R,15S,17aS)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide::AXF::BDF488::bicyclic macrocycle compound 52 Beta-secretase 1 [1-453] Homo sapiens 190 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16088&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search AXF 5QCS,2F3F 9547929 46516349 ZINC14960577 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29159 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@@H]2CNCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H44N4O4S/c1-4-5-11-27-23(31)17(2)14-22(30)21-16-34-13-8-6-7-9-19-15-26-12-10-20(19)25(33)28-18(3)24(32)29-21/h6,8,17-22,26,30H,4-5,7,9-16H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/b8-6+/t17-,18+,19-,20+,21+,22+/m1/s1 WYRQQFDMLRUZJT-YOZOANEFSA-N 16089 (2R,4S)-4-[(3S,6R,13aS,17aS)-3-methyl-1,4-dioxo-1H,2H,3H,4H,5H,6H,7H,9H,12H,13H,13aH,14H,15H,16H,17H,17aH-pyrido[4,3-i][,,]cyclopentadecan-6-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3S,6R,10E,13aS,17aS)-3-methyl-1,4-dioxo-1,2,3,4,5,6,7,9,12,13,13a,14,15,16,17,17a-hexadecahydropyrido[4,3-i][1,4,7]thiadiazacyclopentadecin-6-yl]butanamide::bicyclic macrocycle compound 99 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16089&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845953 46516350 ZINC14960581 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29160 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H44N4O4S/c1-4-5-11-27-23(31)17(2)14-22(30)21-16-34-13-8-6-7-9-19-15-26-12-10-20(19)25(33)28-18(3)24(32)29-21/h6,8,17-22,26,30H,4-5,7,9-16H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/b8-6+/t17-,18+,19+,20-,21+,22+/m1/s1 WYRQQFDMLRUZJT-XRJNRJDLSA-N 16090 (2R,4S)-4-[(3S,6R,13aR,17aR)-3-methyl-1,4-dioxo-1H,2H,3H,4H,5H,6H,7H,9H,12H,13H,13aH,14H,15H,16H,17H,17aH-pyrido[4,3-i][,,]cyclopentadecan-6-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3S,6R,10E,13aR,17aR)-3-methyl-1,4-dioxo-1,2,3,4,5,6,7,9,12,13,13a,14,15,16,17,17a-hexadecahydropyrido[4,3-i][1,4,7]thiadiazacyclopentadecin-6-yl]butanamide::bicyclic macrocycle compound 101 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16090&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845955 46516351 ZINC14960584 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29161 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@@H]2CCCN[C@@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H44N4O4S/c1-4-5-12-27-23(31)17(2)15-21(30)20-16-34-14-8-6-7-10-19-11-9-13-26-22(19)25(33)28-18(3)24(32)29-20/h6,8,17-22,26,30H,4-5,7,9-16H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/b8-6+/t17-,18+,19-,20+,21+,22+/m1/s1 BUMFQYLWEXXRJQ-YOZOANEFSA-N 16091 (2R,4S)-4-[(4aR,12R,15S,17aS)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,5H,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aR,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-1,2,3,4,4a,5,6,9,11,12,13,14,15,16,17,17a-hexadecahydropyrido[2,3-i][1,4,7]thiadiazacyclopentadecin-12-yl]butanamide::bicyclic macrocycle compound 82 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16091&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845403 46516352 ZINC14960588 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 29162 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@H]2CCCN[C@H]2C(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H44N4O4S/c1-4-5-12-27-23(31)17(2)15-21(30)20-16-34-14-8-6-7-10-19-11-9-13-26-22(19)25(33)28-18(3)24(32)29-20/h6,8,17-22,26,30H,4-5,7,9-16H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/b8-6+/t17-,18+,19+,20+,21+,22-/m1/s1 BUMFQYLWEXXRJQ-YOVMJHJTSA-N 16092 (2R,4S)-4-[(4aS,12R,15S,17aR)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,5H,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aR)-15-methyl-14,17-dioxo-1,2,3,4,4a,5,6,9,11,12,13,14,15,16,17,17a-hexadecahydropyrido[2,3-i][1,4,7]thiadiazacyclopentadecin-12-yl]butanamide::bicyclic macrocycle compound 84 Beta-secretase 1 [1-453] Homo sapiens >10000 25.00 C Curated from the literature by BindingDB 10.1021/jm060154a 10.7270/Q2RV0KZN 16854060 aid1797463 Hanessian, S; Yang, G; Rondeau, JM; Neumann, U; Betschart, C; Tintelnot-Blomley, M Universite de Montreal at Succursale Centre-Ville http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=16092&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 11845584 46516353 ZINC14960592 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54115 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C InChI=1S/C25H49N3O4S/c1-8-9-13-26-24(31)19(6)16-22(29)21(15-18(4)5)28-25(32)20(12-14-33-7)27-23(30)11-10-17(2)3/h17-22,29H,8-16H2,1-7H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20+,21+,22+/m1/s1 XTRMRNMVFXWTCC-MLNNCEHLSA-N 29744 hydroxyethylene tripeptide inhibitor, 1 Beta-secretase 1 [1-453] Homo sapiens 1400 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29744&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search AFJ 5QCQ,3DUY 25163980 85147510 ZINC39145436 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54116 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(C)C InChI=1S/C23H45N3O4/c1-8-9-12-24-22(29)17(6)14-20(27)19(13-16(4)5)26-23(30)18(7)25-21(28)11-10-15(2)3/h15-20,27H,8-14H2,1-7H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,19+,20+/m1/s1 DKWURVMIQCMWSA-FYQPLNBISA-N 29745 hydroxyethylene tripeptide inhibitor, 2a Beta-secretase 1 [1-453] Homo sapiens 3700 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29745&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143249 85147511 ZINC40874288 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54117 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)CCC(C)C InChI=1S/C24H47N3O4/c1-9-10-13-25-23(30)18(6)15-21(28)20(14-17(4)5)26-24(31)19(7)27(8)22(29)12-11-16(2)3/h16-21,28H,9-15H2,1-8H3,(H,25,30)(H,26,31)/t18-,19+,20+,21+/m1/s1 NKFWCEAWYLPBHG-ANULTFPQSA-N 29746 N-methyl-alanine tripeptide inhibitor, 2b Beta-secretase 1 [1-453] Homo sapiens 2400 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29746 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29746&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143250 85147512 ZINC40873434 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54118 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C23H43N3O4/c1-5-6-13-24-22(29)17(3)15-20(27)19-14-16(2)11-9-7-8-10-12-21(28)25-18(4)23(30)26-19/h16-20,27H,5-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)/t16-,17-,18+,19+,20+/m1/s1 PVWMLHKWYLFFBM-SLHNCBLASA-N 29747 macrocyclic peptidomimetic, 3a Beta-secretase 1 [1-453] Homo sapiens 1600 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29747 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29747&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143251 85147513 ZINC40873645 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54119 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H45N3O4/c1-5-6-14-25-23(30)18(3)16-21(28)20-15-17(2)12-10-8-7-9-11-13-22(29)26-19(4)24(31)27-20/h17-21,28H,5-16H2,1-4H3,(H,25,30)(H,26,29)(H,27,31)/t17-,18-,19+,20+,21+/m1/s1 ZUIGWVKXPZANDI-MJCUULBUSA-N 29748 NVP-ARV99::macrocyclic peptidomimetic, 3b Beta-secretase 1 [1-453] Homo sapiens 590 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29748 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29748&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search AR9 3DV1,5QCW 25163981 85147514 ZINC39148482 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54120 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C23H43N3O4/c1-4-5-15-24-22(29)17(2)16-20(27)19-13-11-9-7-6-8-10-12-14-21(28)25-18(3)23(30)26-19/h17-20,27H,4-16H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,19+,20+/m1/s1 LDOIFDPEQRPVBI-FYQPLNBISA-N 29749 macrocyclic peptidomimetic, 3c Beta-secretase 1 [1-453] Homo sapiens 7600 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29749 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29749&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143252 85147515 ZINC40949826 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54121 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C25H47N3O4/c1-5-6-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-7-8-10-12-14-23(30)27-20(4)25(32)28-21/h18-22,29H,5-17H2,1-4H3,(H,26,31)(H,27,30)(H,28,32)/t18-,19-,20+,21+,22+/m1/s1 RRIUEDKJQUUCSB-AANPDWTMSA-N 29750 macrocyclic peptidomimetic, 3d Beta-secretase 1 [1-453] Homo sapiens 250 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29750 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29750&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143253 85147516 ZINC40949828 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54122 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C24H45N3O4/c1-4-5-16-25-23(30)18(2)17-21(28)20-14-12-10-8-6-7-9-11-13-15-22(29)26-19(3)24(31)27-20/h18-21,28H,4-17H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)/t18-,19+,20+,21+/m1/s1 YNNKKFANJHWHGJ-ANULTFPQSA-N 29751 macrocyclic peptidomimetic, 3e Beta-secretase 1 [1-453] Homo sapiens 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29751&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143254 85147517 ZINC45505864 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54123 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 InChI=1S/C26H49N3O4/c1-5-6-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-7-9-11-13-15-24(31)28-21(4)26(33)29-22/h19-23,30H,5-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)/t19-,20-,21+,22+,23+/m1/s1 BAQVKFUOCGTGBI-VROINQGHSA-N 29752 macrocyclic peptidomimetic, 3f Beta-secretase 1 [1-453] Homo sapiens 2100 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29752&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143255 85147518 ZINC40848228 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54124 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C25H47N3O4/c1-6-7-15-26-24(31)19(3)17-22(29)21-16-18(2)13-11-9-8-10-12-14-23(30)28(5)20(4)25(32)27-21/h18-22,29H,6-17H2,1-5H3,(H,26,31)(H,27,32)/t18-,19-,20+,21+,22+/m1/s1 FUGSYOGDNZLWLI-AANPDWTMSA-N 29753 macrocyclic peptidomimetic, 3g Beta-secretase 1 [1-453] Homo sapiens 2500 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29753&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 44143256 85147519 ZINC40393465 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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 54125 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 InChI=1S/C26H49N3O4/c1-6-7-16-27-25(32)20(3)18-23(30)22-17-19(2)14-12-10-8-9-11-13-15-24(31)29(5)21(4)26(33)28-22/h19-23,30H,6-18H2,1-5H3,(H,27,32)(H,28,33)/t19-,20-,21+,22+,23+/m1/s1 WOSHLTWGKJOHON-VROINQGHSA-N 29754 macrocyclic peptidomimetic, 3h Beta-secretase 1 [1-453] Homo sapiens 150 4.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2009.01.036 10.7270/Q2JS9NS3 19195886 aid1799028 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Novartis http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1671&target=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=29754&enzyme=Beta-secretase+1+%5B1-453%5D&column=ki&startPg=0&Increment=50&submit=Search 42636931 85147520 ZINC40874059 1 MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES 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