3O9L
 
 | | Design and optimisation of new piperidines as renin inhibitors | | Descriptor: | (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A. | | Deposit date: | 2010-08-04 | | Release date: | 2011-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3D91
 | | Human renin in complex with remikiren | | Descriptor: | DIMETHYL SULFOXIDE, Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide, Renin | | Authors: | Prade, L, Bezencon, O, Bur, D, Weller, T, Fischli, W, Remen, L. | | Deposit date: | 2008-05-26 | | Release date: | 2008-06-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human renin in complex with remikiren
to be published
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3K1W
 | | New Classes of Potent and Bioavailable Human Renin Inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ... | | Authors: | Prade, L. | | Deposit date: | 2009-09-29 | | Release date: | 2010-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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8RR7
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RR8
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{R})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, Galectin-3 | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RR9
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RRE
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[1-(3-methyloxetan-3-yl)-1,2,3-triazol-4-yl]methyl]oxan-3-ol, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.208 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RRB
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8RRC
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-6-[[3-(3-methyloxetan-3-yl)-1,2-oxazol-5-yl]methyl]oxan-3-ol, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RRF
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[3-(fluoranylmethyl)oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RRA
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8RRG
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[1-[3-[bis(fluoranyl)methyl]oxetan-3-yl]-1,2,3-triazol-4-yl]methyl]-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-22 | | Release date: | 2025-01-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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8S67
 | | Galectin-3 with a small molecule inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-02-26 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.097 Å) | | Cite: | Galectin-3 with a small molecule inhibitor
To Be Published
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3OAD
 | | Design and optimization of new piperidines as renin inhibitors | | Descriptor: | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Prade, L. | | Deposit date: | 2010-08-05 | | Release date: | 2010-11-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OAG
 | | Design and optimization of new piperidines as renin inhibitors | | Descriptor: | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Prade, L. | | Deposit date: | 2010-08-05 | | Release date: | 2010-11-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3G6Z
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3G72
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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3G70
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
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8RMT
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclohexyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
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8RMV
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclobutyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
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8RMU
 | | Galectin-3 with a bound inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A, Sager, C. | | Deposit date: | 2024-01-08 | | Release date: | 2025-01-29 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
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9FDC
 | | Co-crystal structure of Galectin-3 with an inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-~{N}-methyl-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, NONAETHYLENE GLYCOL, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2024-05-16 | | Release date: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
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9FDB
 | | Co-crystal structure of Galectin-3 with an inhibitor | | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-cyclopropyl-~{N}-(2-hydroxyethyl)-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2024-05-16 | | Release date: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Galactopyranose-1-Carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
Chemmedchem, 2025
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