| Index | Ligand Name | Structure | PDB code | ligand desolvation |
| 1 | 17h | Crystal structure of human androgen receptor ligand binding domain in complex with tetrahydrogestrinone | 2amb | 100 |
| 2 | r18 | Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881 | 1xow | 100 |
| 3 | r18 | Crystal structure of the human androgen receptor ligand binding domain bound with TIF2(iii) 740-753 peptide and R1881 | 2ao6 | 100 |
| 4 | tes | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | 3zqt | 100 |
| 5 | tes | Human androgen receptor in complex with AF2 small molecule inhibitor | 2yhd | 100 |
| 6 | tes | Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives. | 4hlw | 100 |
| 7 | tes | Crystal structure of human androgen receptor ligand binding domain in complex with testosterone | 2am9 | 100 |
| 8 | tes | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | 2ylp | 100 |
| 9 | tes | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | 2ylq | 100 |
| 10 | tes | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | 2ylo | 100 |
| 11 | tes | The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and a TIF2 box3 Coactivator Peptide 740-753 | 2q7l | 100 |
| 12 | tes | The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide | 2q7i | 100 |
| 13 | tes | The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide | 2q7k | 100 |
| 14 | tes | The Wild Type Androgen Receptor Ligand Binding Domain Bound with Testosterone and a TIF2 box 3 Coactivator Peptide 740-753 | 2q7j | 100 |
| 15 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL motif | 1t7f | 100 |
| 16 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif | 1t79 | 100 |
| 17 | dht | Crystal structure of DHT-bound androgen receptor in complex with the third motif of steroid receptor coactivator 3 | 3l3z | 100 |
| 18 | dht | Crystal structure of DHT-bound androgen receptor in complex with the first motif of steroid receptor coactivator 3 | 3l3x | 100 |
| 19 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with 5-alpha dihydrotestosterone | 1t7t | 100 |
| 20 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxYF motif | 1t7m | 100 |
| 21 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxVW motif | 1t76 | 100 |
| 22 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxFF motif | 1t73 | 100 |
| 23 | dht | Androgen receptor with small molecule | 2piw | 100 |
| 24 | dht | Androgen receptor LBD with small molecule | 2piu | 100 |
| 25 | dht | Crystal structure of AR-LBD bound with co-regulator peptide | 4oed | 100 |
| 26 | dht | Crystal structure of AR-LBD bound with co-regulator peptide | 4oez | 100 |
| 27 | dht | Crystal structure of AR-LBD bound with co-regulator peptide | 4oey | 100 |
| 28 | dht | CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH DIHYDROTESTOSTERONE | 1i38 | 100 |
| 29 | dht | CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH DIHYDROTESTOSTERONE | 1i37 | 100 |
| 30 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil | 4k7a | 100 |
| 31 | dht | Androgen receptor LBD with small molecule | 2pkl | 100 |
| 32 | dht | Crystal structure of AR LBD with SHP peptide NR Box 2 | 2z4j | 100 |
| 33 | dht | Crystal structure of AR-LBD bound with co-regulator peptide | 4ofu | 100 |
| 34 | dht | Crystal structure of AR-LBD bound with co-regulator peptide | 4ofr | 100 |
| 35 | dht | Crystal structure of AR-LBD | 4oea | 100 |
| 36 | dht | androgen receptor LBD with small molecule | 2piq | 99.91 |
| 37 | dht | AR LBD with small molecule | 2pix | 99.89 |
| 38 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif | 1t74 | 99.88 |
| 39 | dht | Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation | 1t65 | 99.88 |
| 40 | dht | Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone | 2ama | 99.88 |
| 41 | r18 | Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881) | 1e3g | 99.88 |
| 42 | dht | Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide | 5jjm | 99.88 |
| 43 | zk5 | Structural basis for the glucocorticoid response in a mutant human androgen receptor (ARccr) derived from an androgen-independent prostate cancer | 1gs4 | 99.81 |
| 44 | enm | Crystal structure of human androgen receptor ligand-binding domain in complex with EM-5744 | 2pnu | 99.81 |
| 45 | jad | Crystal structure of Androgen Receptor in complex with the ligand | 4ql8 | 99.81 |
| 46 | dht | AR LBD with small molecule | 2qpy | 99.79 |
| 47 | r18 | Crystal structure of the human androgen receptor ligand binding domain bound with R1881 | 1xq3 | 99.77 |
| 48 | dht | Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3 | 1t63 | 99.77 |
| 49 | dht | Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a peptide derived from its physiological coactivator ARA70 | 1t5z | 99.77 |
| 50 | dht | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLF motif | 1t7r | 99.77 |
| 51 | dht | Androgen receptor LBD with small molecule | 2pio | 99.67 |
| 52 | dht | Androgen receptor LBD with small molecule | 2pit | 99.67 |
| 53 | dht | Androgen receptor LBD with small molecule | 2pip | 99.58 |
| 54 | dht | Androgen receptor LBD with small molecule | 2pir | 99.58 |
| 55 | dht | Complex Androgen Receptor LBD and RAC3 peptide | 1xj7 | 99.49 |
| 56 | dht | Androgen receptor with small molecule | 2piv | 99.47 |
| 57 | b5r | Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31 | 3b5r | 99.27 |
| 58 | av6 | Human androgen receptor in complex with AF2 small molecule inhibitor | 2yhd | 66.42 |
| 59 | 056 | TARGETING THE BINDING FUNCTION 3 SITE OF THE ANDROGEN RECEPTOR THROUGH IN SILICO MOLECULAR MODELING | 2ylp | 66.36 |
| 60 | k10 | Androgen receptor LBD with small molecule | 2pip | 65.52 |
| 61 | rb1 | androgen receptor LBD with small molecule | 2piq | 64.57 |
| 62 | 4hy | Androgen receptor LBD with small molecule | 2piu | 63.51 |
| 63 | t3 | Androgen receptor with small molecule | 2piw | 55.29 |