6A7A
AKR1C1 complexed with new inhibitor with novel scaffold
Summary for 6A7A
Entry DOI | 10.2210/pdb6a7a/pdb |
Descriptor | Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, ... (4 entities in total) |
Functional Keywords | aldo-keto reductase family 1 member c1, 20-alpha-hydroxysteroid dehydrogenase, alpha-hsd, oxidoreductase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 39871.17 |
Authors | |
Primary citation | Zheng, X.,Jiang, Z.,Li, X.,Zhang, C.,Li, Z.,Wu, Y.,Wang, X.,Zhang, C.,Luo, H.B.,Xu, J.,Wu, D. Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26:5934-5943, 2018 Cited by PubMed: 30429100DOI: 10.1016/j.bmc.2018.10.044 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.37 Å) |
Structure validation
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