Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | imn | AKR1C3 complex with indomethacin at pH 6.8 | 3ugr | 99.36 |
2 | npx | AKR1C3 complex with R-naproxen | 3ufy | 99.25 |
3 | imn | Crystal structures of prostaglandin D2 11-ketoreductase in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin | 1s2a | 98.96 |
4 | 0sz | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | 4fam | 98.42 |
5 | wdx | 17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone | 4wdx | 98.05 |
6 | flr | AKR1C3 complex with flurbiprofen | 3r94 | 97.95 |
7 | nps | AKR1C3 complex with naproxen | 3r58 | 97.94 |
8 | 0t0 | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | 4fal | 97.89 |
9 | id8 | AKR1C3 complexed with mefenamic acid | 3r43 | 97.85 |
10 | izp | AKR1C3 complex with ibuprofen | 3r8g | 97.81 |
11 | 511 | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin | 4dbw | 97.64 |
12 | ffw | Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor. | 6gxk | 96.93 |
13 | jms | AKR1C3 complex with meclofenamic acid | 3r6i | 96.51 |
14 | wdv | 17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol | 4xvd | 96.46 |
15 | imn | AKR1C3 complex with indomethacin at pH 7.5 | 3ug8 | 96.46 |
16 | zom | AKR1C3 complex with zomepirac | 3r8h | 94.59 |
17 | asd | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP | 1xf0 | 93.98 |
18 | wdu | 17beta-HSD5 in complex with 4-chloro-N-(4-chlorobenzyl)-5-nitro-1H-pyrazole-3-carboxamide | 4wdu | 93.65 |
19 | 9s0 | AKR1C3 complexed with new inhibitor with novel scaffold | 6a7b | 91.76 |
20 | wds | 17beta-HSD5 in complex with 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one | 4xve | 91.73 |
21 | cj2 | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 6f2u | 91.16 |
22 | 15m | Crystal structure of prostaglandin F synathase containing bimatoprost | 2f38 | 90.86 |
23 | e04 | Crystal structure of human androgenic 17beta-hydroxysteroid dehydrogenase type 5 in complexed with a potent inhibitor EM1404 | 1zq5 | 90.75 |
24 | qap | Crystal Structure of AKR1C3 complexed with CAPE | 5hnt | 90.38 |
25 | pg2 | Structure of prostaglandin F synthase with prostaglandin D2 | 1ry0 | 87.76 |
26 | gmr | Crystal structure of AKR1C3 complexed with glimepiride | 4yvx | 87.46 |
27 | gbm | Crystal structure of AKR1C3 complexed with glibenclamide | 4yvv | 82.59 |
28 | gcz | Crystal structure of AKR1C3 complexed with glicazide | 4zfc | 81.29 |
29 | suz | AKR1C3 complex with sulindac | 3r7m | 79.48 |
30 | 6ny | Crystal structure of AKR1C3 complexed with a pro-drug | 5jm5 | 60.72 |