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4JOO
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SPIROCYCLIC BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one
Authors:Vigers, G.P.A., Smith, D.
Deposit date:2013-03-18
Release date:2013-04-10
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4JP9
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SPIROCYCLIC BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4R)-2'-amino-6-(3-chlorophenyl)-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one
Authors:Vigers, G.P.A., Smith, D.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4JPC
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SPIROCYCLIC BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, 3-[(4R)-2'-amino-1',2,2-trimethyl-5'-oxo-1',2,3,5'-tetrahydrospiro[chromene-4,4'-imidazol]-6-yl]benzonitrile
Authors:Vigers, G.P.A., Smith, D.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4JPE
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SPIROCYCLIC BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one
Authors:Vigers, G.P.A., Smith, D.
Deposit date:2013-03-19
Release date:2013-04-10
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013
4L7G
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DIETHYLAMINOSULFUR TRIFLUORIDE-MEDIATED INTRAMOLECULAR CYCLIZATION OF 2-HYDROXY-BENZYLUREAS TO FUSED BICYCLIC AMINOOXAZOLINE COMPOUNDS AND EVALUATION OF THEIR BIOCHEMICAL ACTIVITY AGAINST BETA-SECRETASE-1 (BACE1)
Descriptor:Beta-secretase 1, (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, DIMETHYL SULFOXIDE
Authors:Huestis, M.P., Liu, W., Volgraf, M., Purkey, H., Wang, W., Yu, C., Wu, P., Smith, D., Vigers, G., Dutcher, D., Geck Do, M.K., Hunt, K.W., Siu, M.
Deposit date:2013-06-13
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7H
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DIETHYLAMINOSULFUR TRIFLUORIDE-MEDIATED INTRAMOLECULAR CYCLIZATION OF 2-HYDROXY-BENZYLUREAS TO FUSED BICYCLIC AMINOOXAZOLINE COMPOUNDS AND EVALUATION OF THEIR BIOCHEMICAL ACTIVITY AGAINST BETA-SECRETASE-1 (BACE-1)
Descriptor:Beta-secretase 1, 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, ...
Authors:Huestis, M.P., Liu, W., Volgraf, M., Purkey, H.E., Wang, W., Yu, C., Wu, P., Smith, D., Vigers, G., Dutcher, D., Geck Do, M.K., Hunt, K.W., Siu, M.
Deposit date:2013-06-13
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4L7J
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DIETHYLAMINOSULFUR TRIFLUORIDE-MEDIATED INTRAMOLECULAR CYCLIZATION OF 2-HYDROXY-BENZYLUREAS TO FUSED BICYCLIC AMINOOXAZOLINE COMPOUNDS AND EVALUATION OF THEIR BIOCHEMICAL ACTIVITY AGAINST BETA-SECRETASE-1 (BACE-1)
Descriptor:Beta-secretase 1, 2-[(3aS,7aR)-2-amino-3a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[4,5-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION
Authors:Huestis, M.P., Liu, W., Volgraf, M., Purkey, H.E., Wang, W., Yu, C., Wu, P., Smith, D., Vigers, G., Dutcher, D., Geck Do, M.K., Hunt, K.W., Siu, M.
Deposit date:2013-06-13
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4LC7
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AMINOOXAZOLINE INHIBITOR OF BACE-1
Descriptor:Beta-Secretase-1, NICKEL (II) ION, (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
Authors:Huestis, M.P., Liu, W., Volgraf, M., Purkey, H.E., Wu, C., Wang, W., Smith, D., Vigers, G.P.A., Dutcher, D., Hunt, K.W., Siu, M.
Deposit date:2013-06-21
Release date:2013-09-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
4N00
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DISCOVERY OF 7-THP CHROMANS: BACE1 INHIBITORS THAT REDUCE A-BETA IN THE CNS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one
Authors:Vigers, G.P.A., Smith, D.
Deposit date:2013-09-30
Release date:2014-05-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system.
J.Med.Chem., 57, 2014
4RRN
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8-TETRAHYDROPYRAN-2-YL CHROMANS: HIGHLY SELECTIVE BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one
Authors:Thomas, A.A., Hunt, K.W., Newhouse, B., Watts, R.J., Liu, X., Vigers, G.P.A., Smith, D., Rhodes, S.P., Brown, K.D., Otten, J.N., Burkard, M., Cox, A.A., Geck Do, M.K., Dutcher, D., Rana, S., DeLisle, R.K., Regal, K., Wright, A.D., Groneberg, R., Liao, J., Scearce-Levie, K., Siu, M., Purkey, H.E., Lyssikatos, J.P.
Deposit date:2014-11-06
Release date:2014-12-03
Last modified:2014-12-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
4RRO
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8-TETRAHYDROPYRAN-2-YL CHROMANS: HIGHLY SELECTIVE BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4S,4a'R,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1,4a'-dimethyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one
Authors:Thomas, A.A., Hunt, K.W., Newhouse, B., Watts, R.J., Liu, X., Vigers, G.P.A., Smith, D., Rhodes, S.P., Brown, K.D., Otten, J.N., Burkard, M., Cox, A.A., Geck Do, M.K., Dutcher, D., Rana, S., DeLisle, R.K., Regal, K., Wright, A.D., Groneberg, R., Liao, J., Scearce-Levie, K., Siu, M., Purkey, H.E., Lyssikatos, J.P.
Deposit date:2014-11-06
Release date:2014-12-03
Last modified:2014-12-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
4RRS
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8-TETRAHYDROPYRAN-2-YL CHROMANS: HIGHLY SELECTIVE BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1 (BACE1) INHIBITORS
Descriptor:Beta-secretase 1, NICKEL (II) ION, (4R,4a'R,10a'S)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine
Authors:Thomas, A.A., Hunt, K.W., Newhouse, B., Watts, R.J., Liu, X., Vigers, G.P.A., Smith, D., Rhodes, S.P., Brown, K.D., Otten, J.N., Burkard, M., Cox, A.A., Geck Do, M.K., Dutcher, D., Rana, S., DeLisle, R.K., Regal, K., Wright, A.D., Groneberg, R., Liao, J., Scearce-Levie, K., Siu, M., Purkey, H.E., Lyssikatos, J.P.
Deposit date:2014-11-06
Release date:2014-12-03
Last modified:2014-12-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors.
J.Med.Chem., 57, 2014
2VTA
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, GLYCEROL, 1H-indazole
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-13
Release date:2008-08-05
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTH
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, GLYCEROL, 5-hydroxynaphthalene-1-sulfonamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTI
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTJ
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, GLYCEROL, 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTL
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTM
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTN
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTO
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTP
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTQ
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTR
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTT
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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H- PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008