Ligand ID: DM5 Drugbank ID: DB01177(Idarubicin) Indication:For the treatment of acute myeloid leukemia (AML) in adults. This includes French-American-British (FAB) classifications M1 through M7. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.50A | 18.90 | MPD A 307 (-4.2A)NoneNoneNone | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 4 / 6 | LYS A 49ASP A 56TYR A 54ARG A 60 | 1.66A | 19.00 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 1uk3 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | VAL B 297ALA B 210PHE B 3LYS B 1PHE B 291 | 1.69A | 18.70 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 1z1i | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | MET A 165ALA A 173PHE A 181TYR A 54 | 1.17A | 18.70 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 1z1j | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.50A | 18.84 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 2ajf | ACE2 (Homosapiens) | 4 / 7 | LEU B 262VAL B 488PRO B 612TYR B 252 | 1.50A | 20.67 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 2ajf | SPIKE PROTEIN (SARSr-CoV) | 4 / 6 | ASP E 429TRP E 423TYR E 494ARG E 495 | 1.68A | 15.64 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2d2d | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | MET A 165ALA A 173PHE A 181TYR A 54 | 1.27A | 18.57 | ENB A 307 (-3.3A)NoneNoneNone | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 2d2d | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | VAL B 297ALA B 210PHE B 3LYS B 1PHE B 291 | 1.71A | 18.57 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 7 | VAL C 58TYR C 72GLU C 68TYR C 73 | 1.46A | 18.64 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2gt8 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.50A | 18.79 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2op9 | REPLICASEPOLYPROTEIN 1AB(PP1AB, ORF1AB)3C-LIKE PROTEINASE(3CL-PRO, 3CLP) (SARSr-CoV) | 4 / 7 | VAL A 247PHE A 230LYS A 269TYR A 239 | 1.45A | 19.06 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 2pwx | 3C-LIKE PROTEINASE (SARS-COVBJ01) | 4 / 7 | VAL A 296PRO A 293LYS A 137GLU A 290 | 1.32A | 19.20 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2pwx | 3C-LIKE PROTEINASE (SARS-COVBJ01) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.46A | 19.20 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2q6g | REPLICASEPOLYPROTEIN 1AB (SARS-COVBJ01) | 4 / 7 | PRO B 108MET B 130ALA B 129PHE B 112 | 1.48A | 18.70 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 2qc2 | 3C-LIKE PROTEINASE (-) | 5 / 9 | VAL B 297ALA B 210PHE B 3LYS B 1PHE B 291 | 1.61A | 18.85 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2qc2 | 3C-LIKE PROTEINASE (-) | 4 / 7 | VAL B 297ALA B 210PHE B 3LYS B 1 | 1.45A | 18.85 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 2qcy | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL A 296PRO A 293LYS A 137GLU A 290 | 1.25A | 18.87 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2qcy | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.44A | 18.87 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 2vj1 | MAIN PROTEINASE (SARSr-CoV) | 4 / 7 | PRO B 108MET B 130ALA B 129PHE B 112 | 1.48A | 18.06 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 3aw1 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | VAL A 297ALA A 210PHE A 3LYS A 1PHE A 291 | 1.74A | 18.70 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3aw1 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | MET A 165ALA A 173PHE A 181TYR A 54 | 1.27A | 18.70 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 3bgf | SPIKE PROTEIN S1 (SARSr-CoV) | 4 / 7 | VAL S 458PRO S 477TYR A 481TYR A 440 | 1.33A | 16.17 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3d0g | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP E 429TRP E 423TYR E 494ARG E 495 | 1.63A | 15.66 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3d0h | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP F 429TRP F 423TYR F 494ARG F 495 | 1.66A | 14.94 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3d0i | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP E 429TRP E 423TYR E 494ARG E 495 | 1.65A | 14.75 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 3e9s | NSP3 (SARSr-CoV) | 4 / 7 | VAL A 58TYR A 72GLU A 68TYR A 73 | 1.52A | 18.98 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3ea7 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO B 108MET B 130ALA B 129PHE B 112 | 1.46A | 19.08 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3ea9 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL A 247PHE A 230LYS A 269TYR A 239 | 1.47A | 19.08 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 3f9e | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL A 296PRO A 293LYS A 137GLU A 290 | 1.12A | 19.02 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3f9e | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.43A | 19.02 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3f9h | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.51A | 19.02 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 3i6l | HLA, A-24NUCLEOPROTEINPEPTIDE (Homosapiens;SARSr-CoV) | 5 / 9 | VAL D 25ALA D 24PHE F 2TYR D 159PHE D 99 | 1.68A | 19.80 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO B 108MET B 130ALA B 129PHE B 112 | 1.47A | 18.70 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | VAL B 297ALA B 210PHE B 3LYS B 1PHE B 291 | 1.69A | 18.70 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 3m3t | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | VAL A 296PRO A 293LYS A 137GLU A 290 | 1.26A | 19.02 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3m3t | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO A 108MET A 130ALA A 129PHE A 112 | 1.49A | 19.02 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3m3v | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 7 | PRO B 108MET B 130ALA B 129PHE B 112 | 1.48A | 19.24 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3sci | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP E 429TRP E 423TYR E 494ARG E 495 | 1.71A | 16.87 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3scj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP F 429TRP F 423TYR F 494ARG F 495 | 1.68A | 15.58 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 3sck | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 7 | VAL A 573MET A 557ALA A 569TYR A 385 | 1.49A | 20.18 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 3scl | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP F 429TRP F 423TYR F 494ARG F 495 | 1.74A | 15.78 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 4ovz | PAPAIN-LIKEPROTEINASE (SARS-COVUrbani) | 4 / 7 | VAL A 58TYR A 72GLU A 68TYR A 73 | 1.37A | 18.61 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 4rna | PAPAIN-LIKE PROTEASE (Humanbetacoronavirus2cEMC/2012) | 4 / 7 | LEU A 80PRO A 77LYS A 69TYR A 155 | 1.50A | 20.31 | None | ||
![]() | 4LB2_B_DM5B601_1 (SERUM ALBUMIN) | 4rna | PAPAIN-LIKE PROTEASE (Humanbetacoronavirus2cEMC/2012) | 5 / 9 | LEU A 80ARG A 82PRO A 77LYS A 69TYR A 155 | 1.73A | 20.31 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 5tl6 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 7 | VAL D 58PRO D 60TYR D 72GLU D 68 | 1.50A | 18.95 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 5x4s | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | LYS A 188ASP A 44TYR A 41ARG A 48 | 1.38A | 19.97 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 5x4s | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | VAL A 254LYS A 198TYR A 197TYR A 41 | 1.39A | 17.90 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 5x58 | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 7 | LEU C1016VAL C1015PRO C1035TYR C 771 | 1.48A | 17.09 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 6 | LYS B 188ASP B 44TYR B 41ARG B 48 | 1.53A | 19.12 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LEU A1016VAL A1015PRO A1035TYR A 771 | 1.51A | 17.22 | LEU A1016 ( 0.6A)VAL A1015 ( 0.6A)PRO A1035 ( 1.1A)TYR A 771 ( 1.3A) | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP B 429TRP B 423TYR B 494ARG B 495 | 1.63A | 19.58 | ASP B 429 ( 0.6A)TRP B 423 ( 0.5A)TYR B 494 ( 1.3A)ARG B 495 ( 0.6A) | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ASP C 429TRP C 423TYR C 494ARG C 495 | 1.64A | 19.66 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 6acg | ACE2 (Homosapiens) | 4 / 7 | VAL D 573MET D 557ALA D 569TYR D 385 | 1.42A | 20.54 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6acj | ACE2 (Homosapiens) | 4 / 7 | LEU D 262VAL D 488PRO D 612TYR D 252 | 1.45A | 20.54 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6ack | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LEU B 499VAL B 420LYS B 343TYR B 383 | 1.27A | 17.30 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6crv | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 7 | LEU B1016VAL B1015PRO B1035TYR B 771 | 1.43A | 16.95 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 7 | LEU B1016VAL B1015PRO B1035TYR B 771 | 1.41A | 17.51 | None | ||
![]() | 3ARQ_A_DM5A606_1 (CHITINASE A) | 6crz | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | ASP A 429TRP A 423TYR A 494ARG A 495 | 1.52A | 19.56 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 6cs2 | ACE2 (Homosapiens) | 4 / 7 | ALA D 36PHE D 390LYS D 353TYR D 385 | 1.47A | 20.78 | None | ||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 6jyt | HELICASE (SARSr-CoV) | 4 / 7 | VAL B 558ALA B 403LYS B 430TYR B 421 | 1.49A | 21.96 | None | ||
![]() | 4LB2_B_DM5B602_1 (SERUM ALBUMIN) | 6m18 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 9 | PRO A 493ALA A 282PHE A 283TYR A 129PHE A 277 | 1.71A | 20.84 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6m1d | ACE2 (Homosapiens) | 4 / 7 | LEU D 262VAL D 488PRO D 612TYR D 252 | 1.45A | 21.35 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6nb7 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LEU C1016VAL C1015PRO C1035TYR C 771 | 1.39A | 16.84 | None | ||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 7 | LEU B 182VAL B 146PRO B 123GLU B 152 | 1.73A | None | |||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 7 | LEU H 182VAL H 146PRO H 123GLU H 152 | 1.71A | None | |||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6ym0 | HEAVY CHAIN (Homosapiens) | 4 / 7 | LEU H 182VAL H 146PRO H 123GLU H 152 | 1.67A | None | |||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 6ym0 | HEAVY CHAIN (Homosapiens) | 4 / 7 | VAL H 117ALA H 118PHE H 150TYR H 149 | 1.70A | None | |||
![]() | 4LB2_A_DM5A602_1 (SERUM ALBUMIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 7 | VAL B 11ALA B 118PHE B 150TYR B 149 | 1.78A | None | |||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 7 | LEU H 182VAL H 146PRO H 123GLU H 152 | 1.71A | None | |||
![]() | 4LB2_A_DM5A601_1 (SERUM ALBUMIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 7 | LEU B 182VAL B 146PRO B 123GLU B 152 | 1.71A | None |