Ligand ID: REM Drugbank ID: DB00212(Remikiren) Indication:For the treatment of hypertension and heart failure |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 3D91_B_REMB350_1 (RENIN) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | GLN F 949GLY E 946THR D 941ALA F 944SER F 940 | 1.55A | 18.02 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | SER F 937THR F 941LEU E1193SER E 940ALA E1190 | 1.35A | 18.02 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6m0j | SPIKE RECEPTORBINDING DOMAIN (SARS-CoV-2) | 4 / 5 | TYR E 423ALA E 348ALA E 435TYR E 508 | 1.69A | 20.92 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 143SER A 121SER A 123ALA A 116 | 1.69A | 22.86 | None3WL A 401 (-3.3A)NoneNoneNone | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.56A | 22.86 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 5 | TYR A 619ALA A 690ALA A 625TYR A 456 | 1.07A | 17.42 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLN C1005GLY B 971THR B 998PHE C 759ASP C 994 | 1.44A | 14.77 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY C 404SER C 438VAL C 350ALA C 435SER C 375 | 1.44A | 14.77 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6vxs | NSP3 (SARS-CoV-2) | 5 / 12 | GLY B 97LEU B 127ALA B 134SER B 139HIS B 138 | 1.66A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLN B 414ASP B 405SER C 375THR C 376SER C 371 | 1.59A | 14.42 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY B 404SER B 438VAL B 350ALA B 435SER B 375 | 1.74A | 14.42 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLN A1005GLY C 971THR C 998PHE A 759ASP A 994 | 1.52A | 14.42 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLN A1036GLY B 889THR A1066ASP A1041HIS A1064 | 1.54A | 14.42 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6w37 | PROTEIN 7A (SARS-CoV-2) | 5 / 12 | GLY A 11SER A 45THR A 46VAL A 14SER A 29 | 1.68A | None | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w41 | SPIKE PROTEIN S1 (SARS-CoV-2) | 4 / 5 | TYR C 423ALA C 348ALA C 435TYR C 508 | 1.74A | 17.65 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6w41 | SPIKE PROTEIN S1 (SARS-CoV-2) | 5 / 12 | GLY C 404SER C 438VAL C 350ALA C 435SER C 375 | 1.71A | 17.65 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 12 | GLN B4318GLY B4347SER B4325SER B4320ALA A6881 | 1.59A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 5 / 12 | GLN B4318GLY B4347SER B4325SER B4320ALA A6881 | 1.62A | 17.93 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 5 / 12 | GLN D4318GLY D4347SER D4325SER D4320ALA C6881 | 1.61A | 17.93 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR A 171ALA A 116ALA A 153TYR A 83 | 1.60A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR A 251ALA A 246ALA A 261TYR A 273 | 1.79A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR B 171ALA B 116ALA B 153TYR B 83 | 1.43A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR C 95ALA C 116ALA C 107TYR B 268 | 1.44A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR A 95ALA A 116ALA A 107TYR C 268 | 1.35A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | ALA C 145ALA C 114TYR C 112MET C 169 | 1.76A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | ALA A 145ALA A 114TYR A 112MET A 169 | 1.63A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR C 171ALA C 116ALA C 153TYR C 83 | 1.65A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | TYR B 95ALA B 116ALA B 107TYR A 268 | 1.40A | 21.92 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 5 | ALA B 145ALA B 114TYR B 112MET B 169 | 1.68A | 21.92 | None CL B 502 ( 3.8A)NoneNone | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 12 | GLN D4318GLY D4347SER D4325SER D4320ALA C6881 | 1.60A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 12 | GLN B4318GLY B4347SER B4325SER B4320ALA A6881 | 1.61A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 12 | GLN D4318GLY D4347SER D4325SER D4320ALA C6881 | 1.60A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 5 / 12 | GLN B4318GLY B4347SER B4325SER B4320ALA A6881 | 1.61A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.53A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 143SER A 121SER A 123ALA A 116 | 1.67A | NoneU5G A 401 (-3.0A)NoneNoneNone | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 5 / 12 | GLN B4318GLY B4347SER B4325SER B4320ALA A6881 | 1.60A | None | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 4 / 5 | TYR A 171ALA A 116ALA A 153TYR A 83 | 1.64A | 21.31 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 4 / 5 | ALA A 145ALA A 114TYR A 112MET A 169 | 1.67A | 21.31 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6y84 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.43A | 22.86 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY E 404SER E 438VAL E 350ALA E 435SER E 375 | 1.73A | DMS E 902 (-3.4A)NoneNoneNoneNone | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY A 404SER A 438VAL A 350ALA A 435SER A 375 | 1.74A | DMS A 903 (-3.5A)NoneNoneNoneNone | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | TYR A 423ALA A 348ALA A 435TYR A 508 | 1.63A | 21.49 | NoneNoneNoneDMS A 903 (-3.5A) | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | TYR E 423ALA E 348ALA E 435TYR E 508 | 1.66A | 21.49 | NoneDMS E 905 ( 4.0A)NoneDMS E 902 (-4.0A) | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | TYR E 423ALA E 348ALA E 435TYR E 508 | 1.62A | 21.49 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY E 404SER E 438VAL E 350ALA E 435SER E 375 | 1.72A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.39A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 143SER A 121SER A 123ALA A 116 | 1.63A | NoneP6N A 502 ( 4.4A)NoneNoneNone | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY A 404SER A 438VAL A 350ALA A 435SER A 375 | 1.72A | None | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | GLY E 404SER E 438VAL E 350ALA E 435SER E 375 | 1.72A | None | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | TYR A 423ALA A 348ALA A 435TYR A 508 | 1.66A | 21.53 | None | ||
![]() | 3D91_A_REMA350_2 (RENIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | TYR E 423ALA E 348ALA E 435TYR E 508 | 1.66A | 21.53 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 143SER A 121SER A 123ALA A 116 | 1.67A | NonePK8 A 401 ( 4.0A)NoneNoneNone | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.55A | None | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 12 | GLY E 97LEU E 127ALA E 134SER E 139HIS E 138 | 1.74A | None | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 12 | GLY C 78SER C 128VAL C 36LEU C 108HIS C 138 | 1.59A | NoneMES C 201 (-4.6A)NoneNoneNone | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 5 | TYR A 619ALA A 690ALA A 625TYR A 456 | 1.10A | 17.42 | None | ||
![]() | 3D91_A_REMA350_1 (RENIN) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 143SER A 121SER A 123ALA A 116 | 1.67A | NoneJRY A 401 (-3.3A)NoneNoneNone | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | GLN A 69GLY A 146SER A 121SER A 123ALA A 116 | 1.46A | None | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 5 | TYR A 619ALA A 690ALA A 625TYR A 456 | 1.12A | 17.27 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 698SER A 635VAL A 476LEU A 576ALA A 690 | 1.46A | None | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 573GLY A 683SER A 564THR A 567ASP A 684 | 1.75A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 698PHE A 694ASP A 618SER A 795ALA A 797 | 1.57A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 573GLY A 683SER A 564THR A 567ASP A 684 | 1.78A | None | |||
![]() | 3D91_A_REMA350_1 (RENIN) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 573GLY A 683SER A 564THR A 567ASP A 684 | 1.77A | None U T 10 ( 3.1A)NoneNoneNone | |||
![]() | 3D91_A_REMA350_2 (RENIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 5 | TYR A 619ALA A 690ALA A 625TYR A 456 | 1.14A | 17.27 | None | ||
![]() | 3D91_B_REMB350_1 (RENIN) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 698SER A 635VAL A 476LEU A 576ALA A 690 | 1.52A | None | |||
![]() | 3D91_B_REMB350_1 (RENIN) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | GLN A 573GLY A 683SER A 564THR A 567ASP A 684 | 1.72A | None U T 10 ( 3.1A)NoneNoneNone |