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6B5I

ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)

Summary for 6B5I
Entry DOI10.2210/pdb6b5i/pdb
Related6ALJ 6B5G 6B5H
DescriptorRetinal dehydrogenase 2, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (3 entities in total)
Functional Keywordsretinoic acid signaling, male contraception, drug discovery, drug development, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains4
Total formula weight218524.33
Authors
Chen, Y.,Zhu, J.-Y.,Schonbrunn, E. (deposition date: 2017-09-29, release date: 2018-01-10, Last modification date: 2023-10-04)
Primary citationChen, Y.,Zhu, J.Y.,Hong, K.H.,Mikles, D.C.,Georg, G.I.,Goldstein, A.S.,Amory, J.K.,Schonbrunn, E.
Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13:582-590, 2018
Cited by
PubMed: 29240402
DOI: 10.1021/acschembio.7b00685
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.6 Å)
Structure validation

217705

数据于2024-03-27公开中

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