Index | Ligand Name | Structure | PDB code | ligand desolvation |
1 | 74z | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | 5sy3 | 97.95 |
2 | 22x | Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | 3km4 | 95.81 |
3 | 7ek | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | 5tmg | 95.09 |
4 | 6vu | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 5kot | 94.95 |
5 | 0lu | Crystal structure of renin in complex with PKF909-724 (compound 3) | 4gj8 | 92.91 |
6 | 0m2 | Crystal structure of renin in complex with GP055321 (compound 4) | 4gj9 | 92.62 |
7 | 74u | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | 5sxn | 91.89 |
8 | s53 | Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors | 3sfc | 91.78 |
9 | 0lt | Crystal structure of renin in complex with NVP-BCA079 (compound 12a) | 4gj7 | 91.48 |
10 | l1b | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g21 | 91.44 |
11 | 74v | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | 5sy2 | 91.42 |
12 | 6vs | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 5kos | 90.72 |
13 | 2ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g1o | 90.56 |
14 | 6vr | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | 5koq | 90.29 |
15 | 5ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g1y | 90.29 |
16 | ssr | Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | 3oot | 90.11 |
17 | rx6 | Clinically Useful Alkyl Amine Renin Inhibitors | 3q5h | 89.96 |
18 | 6ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g22 | 89.86 |
19 | c40 | Crystal Structure of Renin with Inhibitor 7 | 2v13 | 89.76 |
20 | 3zj | RENIN IN COMPLEXED WITH N-({(3S,4S)-4-[(benzylsulfonyl)amino]pyrrolidin-3-yl}methyl)-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide INHIBITOR | 4ryg | 89.76 |
21 | s52 | Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | 3oqk | 89.67 |
22 | 3ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | 2g1r | 89.41 |
23 | 1ig | Ketopiperazine-based renin inhibitors: Optimization of the ""C"" ring | 2g1n | 89.33 |
24 | 3zk | RENIN IN COMPLEXED WITH 4-methoxy-3-(3-methoxypropoxy)-N-{[(3S,4S)-4-{[(4-methylphenyl)sulfonyl]amino}pyrrolidin-3-yl]methyl}-N-(propan-2-yl)benzamide INHIBITOR | 4ryc | 89.18 |
25 | rx5 | Clinically Useful Alkyl Amine Renin Inhibitors | 3q4b | 89.13 |
26 | 74y | Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | 5sz9 | 89.13 |
27 | 72x | Crystal structure of human renin complexed with a novel inhibitor | 3gw5 | 89.09 |
28 | c41 | Crystal Structure of Renin with Inhibitor 10 (Aliskiren) | 2v0z | 88.9 |
29 | s51 | Crystal Structure Analysis of Renin-indole-piperazine inhibitor complexes | 3oqf | 88.84 |
30 | 03d | HIGH RESOLUTION CRYSTAL STRUCTURES OF RECOMBINANT HUMAN RENIN IN COMPLEX WITH POLYHYDROXYMONOAMIDE INHIBITORS | 1hrn | 88.83 |
31 | 70x | Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium | 4xx3 | 88.62 |
32 | rx0 | Alkyl Amine Renin Inhibitors: Filling S1 from S3 | 3q3t | 88.52 |
33 | 4lg | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g27 | 88.33 |
34 | rpf | crystal structure of renin-pf00257567 complex | 2bkt | 88.12 |
35 | bfx | New Classes of Potent and Bioavailable Human Renin Inhibitors | 3k1w | 88.06 |
36 | 43t | Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium | 4s1g | 88.02 |
37 | 7ej | Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an Orally Active Renin Inhibitor | 5tmk | 87.96 |
38 | 3zn | RENIN IN COMPLEXED WITH (3S,4S)-4-({[4-methoxy-3-(3-methoxypropoxy)benzoyl](propan-2-yl)amino}methyl)pyrrolidin-3-yl benzylcarbamate INHIBITOR | 4rz1 | 87.71 |
39 | c47 | Crystal Structure of Renin with Inhibitor 3 | 2v16 | 86.81 |
40 | 70y | Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium | 4xx4 | 86.75 |
41 | 2y9 | Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | 4q1n | 86.73 |
42 | 9g7 | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | 5vpm | 86.38 |
43 | 0n0 | Crystal structure of renin in complex with NVP-BGQ311 (compound 12) | 4gjd | 86.26 |
44 | vyf | Human renin in complex with inhibitor 9 | 3vyf | 85.89 |
45 | liy | Crystal Structure of Human Renin Complexed with Inhibitors | 2iku | 85.83 |
46 | r32 | Human renin in complex with compound 18 | 3vsx | 85.46 |
47 | 0m3 | Crystal structure of renin in complex with NVP-AYL747 (compound 5) | 4gja | 85.24 |
48 | 0iu | CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS | 1bil | 85.2 |
49 | 0mj | Crystal structure of renin in complex with NVP-BCH965 (compound 9) | 4gjc | 85.02 |
50 | 0me | Crystal structure of renin in complex with NVP-BBV031 (compound 6) | 4gjb | 84.54 |
51 | 0qb | CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS | 1bim | 83.54 |
52 | 4ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | 2g1s | 83.43 |
53 | ua4 | Human renin/PF02342674 complex | 2i4q | 83.09 |
54 | hhe | Human renin in complex with compound 5 | 3vuc | 83.07 |
55 | vyd | Human renin in complex with inhibitor 6 | 3vyd | 82.27 |
56 | 2xf | Crystal structure of renin in complex with compound4 | 4pyv | 82.02 |
57 | vye | Human renin in complex with inhibitor 7 | 3vye | 81.85 |
58 | 90d | Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol | 5v8v | 80 |
59 | 7ig | Ketopiperazine-Based Renin Inhibitors: Optimization of the ""C"" Ring | 2g24 | 78 |
60 | 7ig | Crystal Structure of Human Renin Complexed with Inhibitor | 2iko | 77.77 |