Ligand ID: BBI Drugbank ID: DB01118(Amiodarone) Indication:Intravenously, for initiation of treatment and prophylaxis of frequently recurring ventricular fibrillation and hemodynamically unstable ventricular tachycardia in patients refractory to other therapy. Orally, for the treatment of life-threatening recurrent ventricular arrhythmias such as recurrent ventricular fibrillation and recurrent hemodynamically unstable ventricular tachycardia. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 1ssk | NUCLEOCAPSID PROTEIN (SARSr-CoV) | 4 / 5 | PHE A 31PHE A 88LEU A 145PRO A 45 | 1.67A | 22.94 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 2jw8 | NUCLEOCAPSID PROTEIN (SARSr-CoV) | 4 / 6 | PHE B 308PHE B 347GLU A 324VAL A 325 | 1.67A | 16.61 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 2ozk | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 4 / 6 | PHE A 213GLU A 210PHE A 203VAL A 294 | 1.53A | 20.89 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 4 / 6 | PHE F 213GLU F 210PHE F 203VAL F 294 | 1.73A | 20.49 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3d0g | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 6 | ARG B 204GLU B 457GLU B 467VAL B 463 | 1.70A | 18.98 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3ea9 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.59A | 22.54 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3ebn | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.64A | 16.39 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3i6k | HLA, A-2 (Homosapiens) | 4 / 6 | ARG E 170GLU E 173GLU E 166VAL E 165 | 1.54A | 20.13 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3iwm | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 5 | HIS B 246PHE B 230LEU B 250PRO B 293 | 1.57A | 22.54 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 6 | ARG A 204GLU A 457GLU A 467VAL A 463 | 1.69A | 18.74 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 5c5o | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 5 | HIS B 246PHE B 230LEU B 250PRO B 293 | 1.72A | 22.54 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.65A | 16.99 | None | ||
![]() | 5H4D_H_BBIH405_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 4 | ARG C 183GLU C 93PHE C 185VAL C 123 | 1.70A | 11.84 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 6 | PHE A1024GLU A1013GLU A 762VAL A 763 | 1.66A | 11.84 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6acd | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | PHE B1024ARG B1021GLU B1013GLU C1013 | 1.46A | 11.88 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6acg | ACE2 (Homosapiens) | 4 / 6 | PHE D 314GLU D 310PHE D 369VAL D 293 | 1.62A | 18.74 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 5 | PHE A 103PHE A 231LEU A 132PRO A 136 | 1.58A | 13.13 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6crw | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | PHE B1024PHE B1044GLU B 762VAL B 763 | 1.45A | 11.91 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6cs2 | ACE2 (Homosapiens) | 4 / 6 | PHE D 314GLU D 310PHE D 369VAL D 293 | 1.53A | 18.84 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6cs2 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 5 | PHE A 779PHE A 880LEU A 859PRO A1035 | 1.52A | 13.02 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.66A | 23.55 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.65A | 23.55 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6m1d | ACE2 (Homosapiens) | 4 / 5 | PHE B 683PHE B 643LEU B 675PRO B 677 | 1.57A | 16.85 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 5 | HIS C 246PHE C 230LEU C 250PRO C 293 | 1.75A | 23.43 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | PHE A1024PHE A1044GLU A 762VAL A 763 | 1.75A | 12.14 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6nb7 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 5 | PHE A 779PHE A 880LEU A 859PRO A1035 | 1.73A | 12.78 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6nus | NSP12 (SARSr-CoV) | 4 / 6 | ARG A 631GLU A 658GLU A 665VAL A 560 | 1.73A | 14.36 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | PHE B 515PHE B 429LEU B 425PRO B 463 | 1.60A | 12.64 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | PHE C 782GLU C 819PHE C 823GLU C 868 | 1.60A | 11.85 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6vw1 | ACE2 (Homosapiens) | 4 / 6 | ARG A 204GLU A 457GLU A 467VAL A 463 | 1.72A | 18.98 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | PHE B 782GLU B 819PHE B 823GLU B 868 | 1.52A | 11.82 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | PHE B 782GLU B 819PHE B 823GLU B 868 | 1.56A | 11.90 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6w4h | SARS-COV-2 NSP10SARS-COV-2 NSP16 (SARS-CoV-2) | 4 / 5 | HIS B4301PHE B4321LEU B4298PRO A6835 | 1.40A | 16.44 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 5 | HIS B4301PHE B4321LEU B4298PRO A6835 | 1.39A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6w63 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.73A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 5 | HIS B4301PHE B4321LEU B4298PRO A6835 | 1.42A | 16.44 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 5 | PHE D 171HIS A 145LEU D 104PRO A 142 | 1.76A | None ZN A 201 (-3.1A)NoneNone | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 5 | HIS B4301PHE B4321LEU B4298PRO A6835 | 1.42A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.69A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 5 | HIS B4301PHE B4321LEU B4298PRO A6835 | 1.39A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6y84 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.64A | 23.43 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.65A | 18.79 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 6 | ARG L 148GLU L 149GLU L 167VAL L 152 | 1.71A | 20.96 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.67A | None | |||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 6 | ARG L 148GLU L 149GLU L 167VAL L 152 | 1.71A | 20.96 | None | ||
![]() | 5H4D_A_BBIA403_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 6 | ARG C 148GLU C 149GLU C 167VAL C 152 | 1.71A | 20.96 | None | ||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.73A | None | |||
![]() | 4O8Z_A_BBIA402_1 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-3,MITOCHONDRIAL) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 4 / 5 | HIS A 246PHE A 230LEU A 250PRO A 293 | 1.67A | None |