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PDB: 2 results

7FAQ
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BU of 7faq by Molmil
Crystal structure of PDE5A in complex with inhibitor L1
Descriptor: 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.200136 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022
7FAR
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BU of 7far by Molmil
Crystal structure of PDE5A in complex with inhibitor L12
Descriptor: 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ...
Authors:Wu, D, Huang, Y.Y, Luo, H.B.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.40006471 Å)
Cite:Free energy perturbation (FEP)-guided scaffold hopping.
Acta Pharm Sin B, 12, 2022

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