Ligand ID: LLT Drugbank ID: DB01265(Telbivudine) Indication:For the treatment of chronic hepatitis B in adult and adolescent patients ≥16 years of age with evidence of viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.65A | 18.52 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 297LEU A 253PHE A 3LEU A 282 | 1.80A | 20.06 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.62A | 20.06 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.62A | 20.06 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 297LEU A 253PHE A 3LEU A 282 | 1.77A | 20.06 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m17 | RECEPTOR BINDINGDOMAIN (SARS-CoV-2) | 4 / 7 | GLU F 484GLN F 493PHE F 490LEU F 452 | 1.47A | 22.22 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | VAL A 125PHE C 150MET A 6ALA C 116GLU A 14 | 1.67A | 20.18 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | VAL C 125PHE A 150MET C 6ALA A 116GLU C 14 | 1.67A | 20.18 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL D 247LEU D 250TYR D 209LEU D 268 | 1.67A | 20.24 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | GLU B 240VAL B 202LEU B 250LEU B 227 | 1.70A | 20.24 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | VAL D 125PHE B 150MET D 6ALA B 116GLU D 14 | 1.69A | 20.18 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | VAL B 125PHE D 150MET B 6ALA D 116GLU B 14 | 1.68A | 20.18 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.65A | 20.24 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL B 247LEU B 250TYR B 209LEU B 268 | 1.64A | 20.24 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL C 247LEU C 250TYR C 209LEU C 268 | 1.64A | 20.24 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m2q | 3CL PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.62A | 20.24 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 720LEU A 775TYR A 770LEU A 749 | 1.67A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 182LEU A 245GLN A 210LEU A 207 | 1.78A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 704LEU A 731TYR A 732GLN A 789 | 1.47A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 658LEU A 636PHE A 571LEU A 575 | 1.63A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 436VAL A 435TYR A 884PHE A 429 | 1.43A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 876LEU A 883TYR A 884LEU A 437 | 1.76A | 15.42 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | VAL C 785LEU C 877GLN C 779LEU C 865 | 1.35A | 12.70 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | VAL C 785LEU C 877GLN C 779LEU C 865 | 1.38A | 12.70 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w4h | NSP16 (SARS-CoV-2) | 4 / 7 | GLU A7001LEU A7037GLN A6847LEU A7042 | 1.38A | 21.28 | ACT A7103 (-4.1A)NoneNoneNone | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 7 | GLU A7001LEU A7037GLN A6847LEU A7042 | 1.39A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w63 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.63A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w6y | NSP3 (SARS-CoV-2) | 4 / 7 | GLU A 25VAL A 24LEU A 53PHE A 156 | 1.79A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 7 | GLU C7001LEU C7037GLN C6847LEU C7042 | 1.45A | 17.51 | FMT C7108 ( 3.9A)NoneNoneNone | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 7 | LEU C 282TYR C 296GLN C 122LEU C 118 | 1.73A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 7 | LEU C 253GLN C 122PHE C 304LEU C 118 | 1.75A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 4 / 7 | LEU A -8TYR A 31PHE A 75LEU A 103 | 1.69A | None | |||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 5 / 12 | GLU A -7VAL A -6TYR A 32GLN A 11ALA A -9 | 1.72A | 21.22 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wiq | NSP7NSP8 (SARS-CoV-2) | 4 / 7 | VAL A 16LEU A 20PHE B 92LEU A 71 | 1.62A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 7 | GLU C7001LEU C7037GLN C6847LEU C7042 | 1.45A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 7 | GLU A7001LEU A7037GLN A6847LEU A7042 | 1.39A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 7 | GLU C7001LEU C7037GLN C6847LEU C7042 | 1.44A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 7 | GLU A7001LEU A7037GLN A6847LEU A7042 | 1.38A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 7 | VAL A 304LEU A 228PHE A 342LEU A 312 | 1.78A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.63A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 7 | GLU A7001LEU A7037GLN A6847LEU A7042 | 1.40A | GTA A7102 (-4.1A)NoneNoneNone | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6wqf | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.62A | None | |||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6y2g | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | VAL B 125PHE A 150MET B 6ALA A 116GLU B 14 | 1.67A | 20.18 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.65A | 20.44 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | GLU E 484GLN E 493PHE E 490LEU E 452 | 1.49A | NoneMLI E 903 ( 4.0A)NoneNone | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 7 | GLU A 240VAL A 202LEU A 250LEU A 227 | 1.64A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.65A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | GLU A 484GLN A 493PHE A 490LEU A 452 | 1.50A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | GLU E 484GLN E 493PHE E 490LEU E 452 | 1.50A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.62A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL D 95LEU D 127TYR D 113GLN A 118 | 1.58A | NoneNoneNoneEDO D 201 ( 4.5A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL A 95LEU A 127TYR A 113GLN D 118 | 1.60A | NoneEDO A 202 ( 4.8A)NoneEDO D 201 ( 4.4A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL D 95LEU D 127TYR D 113GLN A 118 | 1.56A | NoneNoneNoneEDO D 203 (-3.7A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL A 95LEU A 127TYR A 113GLN D 118 | 1.59A | NoneNoneNoneEDO A 207 ( 4.7A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL C 95LEU C 127TYR C 113GLN A 118 | 1.55A | NoneNoneNoneEDO A 202 (-4.6A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 7 | VAL A 95LEU A 127TYR A 113GLN C 118 | 1.54A | NoneNoneNoneEDO A 204 (-4.1A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.60A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 190LEU A 187PHE A 287LEU A 282 | 1.79A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 704LEU A 731TYR A 732GLN A 789 | 1.47A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 720LEU A 775TYR A 770LEU A 749 | 1.69A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 136LEU A 142TYR A 175PHE A 793 | 1.76A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 658LEU A 636PHE A 571LEU A 575 | 1.79A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | LEU A 280TYR A 294PHE A 321LEU A 251 | 1.71A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 254LEU A 186TYR A 238PHE A 317 | 1.78A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 297LEU A 253PHE A 3LEU A 282 | 1.80A | NoneNoneNoneDMS A 404 (-4.9A) | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 4 / 7 | VAL A 247LEU A 250TYR A 209LEU A 268 | 1.61A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 658LEU A 636PHE A 571LEU A 575 | 1.51A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 720LEU A 775TYR A 770LEU A 749 | 1.65A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 704LEU A 731TYR A 732GLN A 789 | 1.44A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | LEU A 280TYR A 294PHE A 321LEU A 251 | 1.63A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 254LEU A 186TYR A 238PHE A 317 | 1.79A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 190LEU A 187PHE A 287LEU A 282 | 1.77A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 4 / 7 | VAL B 159LEU B 184TYR B 138LEU A 389 | 1.68A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 190LEU A 187PHE A 287LEU A 282 | 1.77A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 136LEU A 142TYR A 175PHE A 793 | 1.80A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 720LEU A 775TYR A 770LEU A 749 | 1.60A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 7 | GLU A 658LEU A 636PHE A 571LEU A 575 | 1.60A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 7 | VAL A 704LEU A 731TYR A 732GLN A 789 | 1.49A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 4 / 7 | VAL A 338LEU B 95GLN B 88LEU A 371 | 1.61A | None |