Ligand ID: TXL Drugbank ID: DB01248(Docetaxel) Indication:For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone, in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore, docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.66A | 20.68 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.66A | 20.83 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 1uk2 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.52A | 20.44 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 1uk2 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.52A | 20.86 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 1wof | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.64A | 20.64 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 1wof | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.64A | 20.22 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 2a5k | 3C-LIKE PEPTIDASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.66A | 20.82 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2a5k | 3C-LIKE PEPTIDASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.66A | 20.39 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2gdt | NSP1 (EC 3.4.22.-) P65 HOMOLOGLEADER PROTEIN (SARSr) | 5 / 12 | VAL A 3LEU A 66HIS A 2ARG A 32GLY A 116 | 1.37A | 13.88 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2op9 | REPLICASEPOLYPROTEIN 1AB(PP1AB, ORF1AB)3C-LIKE PROTEINASE(3CL-PRO, 3CLP) (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.63A | 20.74 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 2op9 | REPLICASEPOLYPROTEIN 1AB(PP1AB, ORF1AB)3C-LIKE PROTEINASE(3CL-PRO, 3CLP) (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.63A | 20.30 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 2ozk | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | VAL A 35ASP A 36LEU B 200ARG B 257GLY B 246 | 1.33A | 22.25 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2ozk | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | VAL A 35ASP A 36LEU B 200ARG B 257GLY B 246 | 1.34A | 22.25 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 2q6g | REPLICASEPOLYPROTEIN 1AB (SARS-COVBJ01) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.77A | 21.06 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2q6g | REPLICASEPOLYPROTEIN 1AB (SARS-COVBJ01) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.77A | 20.65 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | VAL E 77LEU E 57HIS E 95ARG E 90PRO E 67 | 1.75A | 21.51 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | VAL E 77LEU E 57HIS E 95ARG E 90PRO E 67 | 1.75A | 21.51 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 3atw | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.60A | 20.66 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 3atw | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.60A | 21.08 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 3f9f | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.73A | 20.35 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 3f9f | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.73A | 20.77 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.68A | 20.44 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.68A | 20.86 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 5b6o | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.68A | 21.52 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 5b6o | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.68A | 21.21 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 5c8s | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | LEU D 170PHE D 240THR D 215PRO D 70GLY D 202 | 1.52A | 21.70 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 5c8s | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | LEU D 170PHE D 240THR D 215PRO D 70GLY D 202 | 1.52A | 20.62 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 5c8t | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | LEU D 170PHE D 240THR D 215PRO D 70GLY D 202 | 1.53A | 20.80 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 5c8t | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | LEU D 170PHE D 240THR D 215PRO D 70GLY D 202 | 1.53A | 21.88 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 5nfy | POLYPROTEIN 1AB (SARS-COVFrankfurt1) | 5 / 12 | LEU B 170PHE B 240THR B 215PRO B 70GLY B 202 | 1.53A | 20.68 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 5nfy | POLYPROTEIN 1AB (SARS-COVFrankfurt1) | 5 / 12 | LEU B 170PHE B 240THR B 215PRO B 70GLY B 202 | 1.53A | 21.65 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 5tl7 | REPLICASEPOLYPROTEIN 1ABUBIQUITIN-LIKEPROTEIN ISG15 (Musmusculus;SARSr-CoV) | 5 / 12 | ASP D 38SER D 86THR D 169ARG C 151GLY D 161 | 1.44A | 22.17 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 5tl7 | REPLICASEPOLYPROTEIN 1ABUBIQUITIN-LIKEPROTEIN ISG15 (Musmusculus;SARSr-CoV) | 5 / 12 | ASP D 38SER D 86THR D 169ARG C 151GLY D 161 | 1.44A | 21.84 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | VAL A 66ASP A 208HIS A 33SER A 64ARG A 620 | 1.69A | 16.39 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | VAL A 66ASP A 208HIS A 33SER A 64ARG A 620 | 1.69A | 16.93 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6crw | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | VAL A 337LEU A 421THR A 363PRO A 493GLY A 391 | 1.67A | 17.64 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6crw | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | VAL A 337LEU A 421THR A 363PRO A 493GLY A 391 | 1.67A | 17.15 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6jyt | HELICASE (SARSr-CoV) | 5 / 12 | VAL B 103ASP B 101SER A 148PHE A 145THR A 115 | 1.66A | 21.26 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6jyt | HELICASE (SARSr-CoV) | 5 / 12 | VAL B 103ASP B 101SER A 148PHE A 145THR A 115 | 1.66A | 21.99 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | VAL B1164ASP B1165LEU C1166SER B 974GLY B1167 | 1.43A | 16.26 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6lxt | SPIKE PROTEIN S2,SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | VAL B1164ASP B1165LEU C1166SER B 974GLY B1167 | 1.43A | 16.26 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6m1d | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 12 | VAL A 55LEU A 482ASP A 486THR A 131GLY A 428 | 1.47A | 20.47 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6m1d | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 12 | VAL A 55LEU A 482ASP A 486THR A 131GLY A 428 | 1.47A | 20.09 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6nur | NSP12NSP8 (SARSr-CoV) | 5 / 12 | VAL B 83LEU A 527ARG A 569PRO A 505GLY A 503 | 1.79A | 19.52 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6nur | NSP12NSP8 (SARSr-CoV) | 5 / 12 | VAL B 83LEU A 527ARG A 569PRO A 505GLY A 503 | 1.80A | 19.52 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASP C 578LEU C 517ASP A 979THR C 393PRO C 330 | 1.72A | 15.95 | NoneNoneNoneNoneNAG C1306 ( 4.6A) | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASP C 578LEU C 517ASP A 979THR C 393PRO C 330 | 1.72A | 15.43 | NoneNoneNoneNoneNAG C1306 ( 4.6A) | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASP A 578LEU A 517ASP B 979THR A 393PRO A 330 | 1.68A | 15.95 | NoneNoneNoneNoneNAG A1306 ( 4.9A) | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASP A 578LEU A 517ASP B 979THR A 393PRO A 330 | 1.69A | 15.43 | NoneNoneNoneNoneNAG A1306 ( 4.9A) | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | VAL C 165ASP C 164LEU C 125SER C 262PHE C 304 | 1.60A | 21.90 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | VAL A 165ASP A 164LEU A 125SER A 262PHE A 304 | 1.53A | 22.27 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | VAL A 165ASP A 164LEU A 125SER A 262PHE A 304 | 1.53A | 21.90 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | VAL C 165ASP C 164LEU C 125SER C 262PHE C 304 | 1.60A | 22.27 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 12 | VAL A 165ASP A 164LEU A 125SER A 262PHE A 304 | 1.69A | 22.39 | NoneGOL A 508 (-3.4A)NoneNoneNone | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 12 | VAL A 165ASP A 164LEU A 125SER A 262PHE A 304 | 1.69A | 22.25 | NoneGOL A 508 (-3.4A)NoneNoneNone | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6xhn | 3C-LIKE PROTEINASE (SARSr) | 5 / 12 | ASP B 289LEU B 227THR B 243PRO B 132GLY B 109 | 1.29A | 20.39 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6y2g | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.68A | 20.22 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6y2g | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.68A | 20.65 | None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.78A | 17.97 | NoneNoneNoneDMS A 404 ( 4.9A)None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASP A 289LEU A 227THR A 243PRO A 132GLY A 109 | 1.78A | 17.50 | NoneNoneNoneDMS A 404 ( 4.9A)None | ||
![]() | 1TUB_B_TXLB501_1 (TUBULIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | VAL A 662ASP A 684LEU A 673SER A 564GLY A 559 | 1.76A | 19.66 | None | ||
![]() | 1IA0_B_TXLB502_1 (TUBULIN BETA CHAIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | VAL A 662ASP A 684LEU A 673SER A 564GLY A 559 | 1.76A | 18.80 | None |