7g58

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Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.
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Description: Crystal Structure of rat Autotaxin in complex with 2-[(3,3-dimethyl-6-propan-2-yl-1,2-dihydroinden-5-yl)oxy]-1-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]ethanone
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Description: Crystal Structure of rat Autotaxin in complex with 2-[(3,3-dimethyl-6-propan-2-yl-1,2-dihydroinden-5-yl)oxy]-1-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]ethanone, i.e. SMILES N1(CC[C@@H]2[C@H](CC1)CN(C2)C(=O)c1cc2c(cc1)NN=N2)C(=O)COc1c(cc2c(c1)C(CC2)(C)C)C(C)C with IC50=0.00121852 microM
[[Category: Unreleased Structures]]
[[Category: Unreleased Structures]]
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[[Category: Stihle, M]]
 
[[Category: Benz, J]]
[[Category: Benz, J]]
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[[Category: Stihle, M]]
[[Category: Hunziker, D]]
[[Category: Hunziker, D]]
[[Category: Rudolph, M.G]]
[[Category: Rudolph, M.G]]

Revision as of 21:55, 20 November 2024

Unreleased structure

The entry 7g58 is ON HOLD

Authors: Stihle, M., Benz, J., Hunziker, D., Rudolph, M.G.

Description: Crystal Structure of rat Autotaxin in complex with 2-[(3,3-dimethyl-6-propan-2-yl-1,2-dihydroinden-5-yl)oxy]-1-[rac-(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]ethanone, i.e. SMILES N1(CC[C@@H]2[C@H](CC1)CN(C2)C(=O)c1cc2c(cc1)NN=N2)C(=O)COc1c(cc2c(c1)C(CC2)(C)C)C(C)C with IC50=0.00121852 microM

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