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5L3A
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BU of 5l3a by Molmil
Fragment-based discovery of 6-arylindazole JAK inhibitors
Descriptor: Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide
Authors:Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A.
Deposit date:2016-04-06
Release date:2016-04-27
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.
Acs Med.Chem.Lett., 7, 2016
2Y0J
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BU of 2y0j by Molmil
Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation.
Descriptor: 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
Authors:Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P.
Deposit date:2010-12-03
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6TPE
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BU of 6tpe by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1
Authors:Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
6TPF
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BU of 6tpf by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
Authors:Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
6TPD
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BU of 6tpd by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
Descriptor: 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2
Authors:Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A.
Deposit date:2019-12-13
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
7QPM
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BU of 7qpm by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
Descriptor: 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ...
Authors:Leonard, P.M, Langgard, M.
Deposit date:2022-01-05
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
7QPF
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BU of 7qpf by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
Descriptor: 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ...
Authors:Leonard, P.M, Langgard, M.
Deposit date:2022-01-04
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
7QQ4
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BU of 7qq4 by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
Descriptor: 5,8-dimethyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine, MAGNESIUM ION, ZINC ION, ...
Authors:Leonard, P.M, Langgard, M.
Deposit date:2022-01-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
7QPQ
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BU of 7qpq by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
Descriptor: 2-[(1-methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
Authors:Leonard, P.M, Langgard, M.
Deposit date:2022-01-05
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published
7QPV
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BU of 7qpv by Molmil
Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
Descriptor: 8-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ...
Authors:Leonard, P.M, Langgard, M.
Deposit date:2022-01-05
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate
To Be Published

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