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 | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.65A | 19.94 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 1wnc | E2 GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | VAL A1170LEU A1174GLN C 917LEU C1174 | 1.52A | 19.67 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 1z1j | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL B1247LEU B1250TYR B1209LEU B1268 | 1.29A | 20.00 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2a5k | 3C-LIKE PEPTIDASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.65A | 19.94 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2ajf | ACE2 (Homosapiens) | 4 / 7 | GLU A 171VAL A 132LEU A 148LEU A 162 | 1.39A | 18.21 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2beq | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | GLU F1177LEU A 920GLN A 915LEU D1175 | 1.42A | 11.03 | NoneNoneNoneACE B 913 ( 4.9A) | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2d2d | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.55A | 20.35 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 7 | VAL C 304LEU C 254TYR C 297GLN C 123 | 1.50A | 21.18 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2ghw | ANTI-SCFV ANTIBODY,80R (Homosapiens) | 4 / 7 | GLU B 46VAL B 48LEU B 81LEU B 86 | 1.48A | 19.80 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2hsx | LEADER PROTEIN P65 HOMOLOG NSP1 (SARSr-CoV) | 4 / 7 | GLU A 46VAL A 49LEU A 53LEU A 10 | 1.49A | 19.12 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2op9 | REPLICASEPOLYPROTEIN 1AB(PP1AB, ORF1AB)3C-LIKE PROTEINASE(3CL-PRO, 3CLP) (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.63A | 19.88 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2q6g | REPLICASEPOLYPROTEIN 1AB (SARS-COVBJ01) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.66A | 19.94 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2qc2 | 3C-LIKE PROTEINASE (-) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.62A | 19.94 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 2vj1 | MAIN PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.64A | 20.82 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 2wct | NSP3 (SARSr-CoV) | 4 / 7 | GLU B 403VAL D 553TYR D 583PHE B 406 | 1.49A | 19.81 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3bgf | F26G19 FAB (Musmusculus) | 4 / 7 | LEU L 179TYR L 192GLN L 124LEU L 125 | 1.38A | 21.03 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3d0g | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 12 | GLU A 375MET A 323PHE A 327MET A 360ALA A 372 | 1.59A | 19.53 | ZN A 901 (-3.8A)NoneNoneNoneNone | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3d0i | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 7 | GLU A 232VAL A 581LEU A 520TYR A 516 | 1.30A | 18.21 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3e91 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.62A | 19.94 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3ea9 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL A 297LEU A 253PHE A 3LEU A 282 | 1.42A | 20.00 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3f9g | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL B 125PHE A 150MET B 6ALA A 116GLU B 14 | 1.64A | 19.88 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3f9h | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.67A | 19.94 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3i6g | HLA, A-2MEMBRANE PROTEIN (Homosapiens) | 4 / 7 | GLU D 154LEU C 1TYR A 7LEU A 160 | 1.35A | 23.80 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.68A | 19.94 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3m3v | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.66A | 19.94 | None | ||
![]() | 3QEO_A_LLTA261_1 (DEOXYCYTIDINE KINASE) | 3r24 | 2'-O-METHYLTRANSFERASE (SARSr-CoV) | 5 / 10 | GLU A 203LEU A 239GLN A 49LEU A 244GLU A 32 | 1.38A | 24.67 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3scj | ACE2 (Homosapiens) | 4 / 7 | GLU B 232VAL B 581LEU B 520TYR B 516 | 1.30A | 18.21 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 7 | GLU A 232VAL A 581LEU A 520TYR A 516 | 1.26A | 18.38 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 12 | GLU B 375MET B 323PHE B 327MET B 360ALA B 372 | 1.53A | 19.53 | ZN B 901 (-3.6A)NoneNoneNoneNone | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 3snd | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL B 125PHE A 150MET B 6ALA A 116GLU B 14 | 1.59A | 19.94 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 4hi3 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL B 125PHE A 150MET B 6ALA A 116GLU B 14 | 1.67A | 20.35 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 5b6o | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL B 125PHE A 150MET B 6ALA A 116GLU B 14 | 1.62A | 20.18 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 5c5o | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | VAL A 125PHE B 150MET A 6ALA B 116GLU A 14 | 1.62A | 19.94 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 5c8u | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | GLU B 302VAL B 305PHE B 401ALA B 425PHE B 426 | 1.67A | 19.85 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5e6j | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 7 | GLU A 264VAL A 301LEU A 212LEU A 283 | 1.50A | 22.16 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5tl7 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 7 | VAL D 304LEU D 254TYR D 297GLN D 123 | 1.42A | 22.32 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5tl7 | REPLICASEPOLYPROTEIN 1ABUBIQUITIN-LIKEPROTEIN ISG15 (Musmusculus;SARSr-CoV) | 4 / 7 | GLU A 87LEU A 152TYR B 274LEU B 212 | 1.45A | 16.49 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 7 | GLU A 900VAL A 897TYR A1049GLN A 904 | 1.20A | 12.14 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5x5c | S PROTEIN (MERS-CoV) | 4 / 7 | VAL B 575LEU B 441TYR B 409LEU B 415 | 1.34A | 12.08 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | GLU A 900VAL A 897TYR A1049GLN A 904 | 1.44A | 12.44 | GLU A 900 ( 0.6A)VAL A 897 ( 0.6A)TYR A1049 ( 1.3A)GLN A 904 ( 0.6A) | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 5y3q | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 4 / 7 | VAL A 304LEU A 254TYR A 297GLN A 123 | 1.43A | 22.32 | NoneGOL A 408 (-4.7A)NoneNone | ||
![]() | 3QEO_A_LLTA261_1 (DEOXYCYTIDINE KINASE) | 6acj | ACE2SPIKE GLYCOPROTEIN (Homosapiens;SARSr-CoV) | 5 / 10 | GLU D 35LEU C 472PHE D 32LEU D 97GLU D 75 | 1.77A | 18.21 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6acj | ACE2 (Homosapiens) | 5 / 12 | GLU D 375MET D 323PHE D 327MET D 360ALA D 372 | 1.56A | 19.53 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ack | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | VAL A1076TYR C 899GLN C1018LEU C1031 | 1.26A | 12.44 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6ack | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | GLU B 162VAL B 124ARG B 126ALA B 127PHE B 130 | 1.46A | 12.97 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 7 | GLU C 900VAL C 897TYR C1049GLN C 904 | 1.06A | 12.19 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6cs2 | ACE2 (Homosapiens) | 5 / 12 | GLU D 375MET D 323PHE D 327MET D 360ALA D 372 | 1.62A | 19.40 | None | ||
![]() | 3HP1_A_LLTA401_1 (DEOXYCYTIDINE KINASE) | 6cs2 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | GLU A 162VAL A 124ARG A 126ALA A 127PHE A 130 | 1.69A | 12.72 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6jyt | HELICASE (SARSr-CoV) | 4 / 7 | VAL B 496LEU B 500PHE B 511LEU B 528 | 1.25A | 18.54 | None | ||
![]() | 3QEO_A_LLTA261_1 (DEOXYCYTIDINE KINASE) | 6m17 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 10 | GLU C 405VAL C 402LEU C 398LEU C 389GLU C 394 | 1.75A | 16.72 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m18 | ACE2 (Homosapiens) | 4 / 7 | GLU D 232VAL D 581LEU D 520TYR D 516 | 1.28A | 17.54 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6m1d | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 4 / 7 | GLU A 405VAL A 402LEU A 398LEU A 389 | 1.49A | 16.72 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | VAL A 718LEU A 986GLN A 993LEU A 994 | 1.50A | 12.04 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6nb8 | S230 ANTIGEN-BINDING(FAB) FRAGMENT,LIGHT CHAIN (Homosapiens) | 4 / 7 | LEU L 184TYR L 197GLN L 129LEU L 130 | 1.44A | 21.05 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w41 | CR3022 FAB LIGHTCHAIN (Homosapiens) | 4 / 7 | LEU L 47TYR L 86GLN L 79LEU L 78 | 1.60A | 21.01 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6w41 | CR3022 FAB LIGHTCHAIN (Homosapiens) | 4 / 7 | LEU L 179TYR L 192GLN L 124LEU L 125 | 1.59A | 21.01 | None | ||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 4 / 7 | VAL L 139LEU H 128GLN L 130LEU L 131 | 1.80A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | LEU L 185TYR L 198GLN L 130LEU L 131 | 1.49A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | LEU C 185TYR C 198GLN C 130LEU C 131 | 1.47A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | GLU L 87LEU L 84GLN L 43LEU L 53 | 1.68A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | GLU C 87LEU C 84GLN C 43LEU C 53 | 1.69A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | VAL L 64LEU L 53TYR L 92LEU L 84 | 1.73A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 7 | VAL C 64LEU C 53TYR C 92LEU C 84 | 1.75A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ym0 | LIGHT CHAIN (Homosapiens) | 4 / 7 | VAL L 64LEU L 53TYR L 92LEU L 84 | 1.73A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6ym0 | LIGHT CHAIN (Homosapiens) | 4 / 7 | LEU L 185TYR L 198GLN L 130LEU L 131 | 1.54A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | LEU L 185TYR L 198GLN L 130LEU L 131 | 1.49A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | VAL L 64LEU L 53TYR L 92LEU L 84 | 1.73A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | LEU C 185TYR C 198GLN C 130LEU C 131 | 1.49A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | GLU C 87LEU C 84GLN C 43LEU C 53 | 1.68A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | VAL C 64LEU C 53TYR C 92LEU C 84 | 1.72A | None | |||
![]() | 3QEO_B_LLTB261_1 (DEOXYCYTIDINE KINASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 7 | GLU L 87LEU L 84GLN L 43LEU L 53 | 1.68A | None |