Ligand ID: AWY Drugbank ID: DB06594(Agomelatine) Indication:Agomelatine is indicated for the treatment of major depressive episodes in adults. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2acf | REPLICASEPOLYPROTEIN 1AB (SARS-COVTor2) | 4 / 6 | LYS B 245VAL C 198ILE C 335TYR C 350 | 1.60A | 18.42 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2ajf | SPIKE PROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 1.01A | 17.26 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2beq | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | LYS F1148VAL C 945LYS C 946ILE E1151 | 1.62A | 10.21 | ACE F1147 ( 2.7A)NoneNoneNone | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2dd8 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL S 337ILE S 405LYS S 390TYR S 481 | 1.16A | 17.86 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2ghv | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL E 337ILE E 405LYS E 390TYR E 481 | 1.15A | 16.86 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2h85 | PUTATIVE ORF1ABPOLYPROTEIN (SARSr-CoV) | 4 / 6 | LYS A 316VAL A 320LYS A 319ILE A 305 | 1.41A | 22.40 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 4 / 6 | LYS F 316VAL F 320LYS F 319ILE F 305 | 1.37A | 21.52 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3bgf | SPIKE PROTEIN S1 (SARSr-CoV) | 4 / 6 | VAL S 337ILE S 405LYS S 390TYR S 481 | 1.15A | 16.95 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3d0g | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 1.16A | 17.01 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3d0h | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 1.17A | 18.51 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3d0i | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 1.14A | 18.21 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3sci | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 1.00A | 17.27 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3scj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 0.99A | 18.18 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3sck | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 0.98A | 17.94 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3scl | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL F 337ILE F 405LYS F 390TYR F 481 | 0.94A | 16.72 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 6 | LYS A 419LYS A 416ILE A 291LYS A 541 | 1.79A | 19.61 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 3to2 | MHC CLASS I ANTIGEN (Homosapiens) | 4 / 6 | LYS A 66VAL A 34ILE A 52TYR A 7 | 1.77A | 20.22 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL A 337ILE A 405LYS A 390TYR A 481 | 1.47A | 15.11 | VAL A 337 ( 0.6A)ILE A 405 ( 0.7A)LYS A 390 ( 0.0A)TYR A 481 ( 1.3A) | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6acd | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | VAL A 337ILE A 405LYS A 390TYR A 481 | 1.25A | 15.11 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | VAL C 337ILE C 405LYS C 390TYR C 481 | 0.97A | 15.03 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6nus | NSP12NSP8 (SARSr-CoV) | 4 / 6 | LYS A 391VAL B 159ILE B 156TYR B 138 | 1.79A | 16.34 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6vw1 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | VAL F 350ILE F 418LYS F 403TYR F 495 | 1.12A | 19.21 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6w01 | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | LYS A 317VAL A 321LYS A 320ILE A 306 | 1.69A | 23.39 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | LYS A 345VAL A 321LYS A 320ILE A 306 | 1.76A | 24.03 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | LYS A 317VAL A 321LYS A 320ILE A 306 | 1.60A | 24.03 | None | ||
![]() | 5Q1S_A_AWYA1103_0 (DNA CROSS-LINKREPAIR 1A PROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | LYS B 317VAL B 321LYS B 320ILE B 306 | 1.78A | 24.03 | None |