Ligand ID: TPA Drugbank ID: DB00752(Tranylcypromine) Indication:For the treatment of major depressive episode without melancholia. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 6 | SER B 113SER B 10VAL B 125GLY D 124 | 1.56A | 23.17 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 6 | SER D 1SER B 144GLY B 138GLY D 2 | 1.76A | 23.17 | None3WL B 401 (-3.6A)NoneNone | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 6 | SER A 113SER A 10VAL A 125GLY C 124 | 1.54A | 23.17 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 6 | SER C 113SER C 10VAL C 125GLY A 124 | 1.55A | 23.17 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 6 | SER D 113SER D 10VAL D 125GLY B 124 | 1.58A | 23.17 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m71 | NSP12NSP7 (SARS-CoV-2) | 4 / 6 | SER C 15SER C 10VAL C 12GLY A 413 | 1.66A | 16.74 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 484SER A 578GLY A 486GLY A 485 | 1.78A | 14.08 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | SER A 681VAL A 662GLY A 559GLY A 683 | 1.37A | 14.08 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | SER C1030VAL B1040GLY B1044GLY B1046 | 1.13A | 12.42 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | SER B1030VAL A1040GLY A1044GLY A1046 | 1.16A | 11.76 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | SER B1030VAL A1040GLY A1044GLY A1046 | 1.11A | 11.76 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w4h | NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6897SER A6896SER A7090VAL A6916 | 1.24A | 17.26 | SAM A7102 (-2.6A)NoneNoneNone | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY B4347GLY B4323 | 1.76A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER A6903SER B4325GLY A6879 | 1.67A | NoneNoneNoneSAM A7104 (-3.6A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897SER A6896VAL A6916GLY A6911 | 1.56A | SAM A7104 (-2.8A)NoneNoneNone | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER B4325VAL A6876GLY A6879 | 1.66A | NoneNoneNoneSAM A7104 (-3.6A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY A6871GLY A6875 | 1.64A | NoneNoneSAM A7104 (-4.4A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897SER A6896SER A7090VAL A6916 | 1.21A | SAM A7104 (-2.8A)NoneNoneNone | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY C6871GLY C6875 | 1.57A | 22.22 | NoneNoneSAM C7105 ( 4.2A)None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY B4347GLY B4323 | 1.74A | 22.22 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895SER C6903SER D4325GLY C6879 | 1.59A | 22.22 | NoneNoneNoneSAM C7105 ( 3.4A) | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895SER A6903SER B4325GLY A6879 | 1.60A | 22.22 | NoneNoneNoneSAM A7102 ( 3.4A) | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895SER B4325VAL A6876GLY A6879 | 1.63A | 22.22 | NoneNoneNoneSAM A7102 ( 3.4A) | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY D4347GLY D4323 | 1.72A | 22.22 | None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895SER D4325VAL C6876GLY C6879 | 1.63A | 22.22 | NoneNoneNoneSAM C7105 ( 3.4A) | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY A6871GLY A6875 | 1.58A | 22.22 | NoneNoneSAM A7102 ( 4.2A)None | ||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 6 | ASP C 179SER C 180SER C 239GLY C 201 | 1.70A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 4 / 6 | ASP A 60SER A 59GLY A 63GLY A 61 | 1.69A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 4 / 6 | SER A 105VAL A -6GLY A 100GLY A 104 | 1.58A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wcf | NSP3 (SARS-CoV-2) | 4 / 6 | SER A 128VAL A 100GLY A 78GLY A 97 | 1.72A | MES A 201 (-4.4A)NoneNoneNone | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY A6871GLY A6875 | 1.59A | NoneNoneSAH A7102 (-4.4A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER B4325VAL A6876GLY A6879 | 1.62A | NoneNoneNoneSAH A7102 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY C6871GLY C6875 | 1.56A | NoneNoneSAH C7102 (-4.4A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP C6895SER C6903SER D4325GLY C6879 | 1.60A | NoneNoneNoneSAH C7102 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP C6895SER D4325VAL C6876GLY C6879 | 1.62A | NoneNoneNoneSAH C7102 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY B4347GLY B4323 | 1.79A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER A6903SER B4325GLY A6879 | 1.61A | NoneNoneNoneSAH A7102 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wjt | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY D4347GLY D4323 | 1.76A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY C6871GLY C6875 | 1.56A | NoneNoneSFG C7103 ( 4.1A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY A6871GLY A6875 | 1.59A | NoneNoneSFG A7103 ( 4.2A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895SER D4325VAL C6876GLY C6879 | 1.61A | NoneNoneNoneSFG C7103 ( 3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895SER A6903SER B4325GLY A6879 | 1.60A | NoneNoneNoneSFG A7103 ( 3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY B4347GLY B4323 | 1.78A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895SER C6903SER D4325GLY C6879 | 1.59A | NoneNoneNoneSFG C7103 ( 3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895SER B4325VAL A6876GLY A6879 | 1.62A | NoneNoneNoneSFG A7103 ( 3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wkq | NSP10NSP16 (SARS-CoV-2) | 4 / 6 | SER C6903VAL C6902GLY D4347GLY D4323 | 1.72A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER B4325VAL A6876GLY A6879 | 1.61A | NoneNoneNoneSAH A7101 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897SER A6896SER A7090VAL A6916 | 1.19A | SAH A7101 (-2.7A)NoneNoneNone | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | ASP A6895SER A6903SER B4325GLY A6879 | 1.59A | NoneNoneNoneSAH A7101 (-3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY A6871GLY A6875 | 1.64A | NoneNoneSAH A7101 (-4.3A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASENSP10 (SARS-CoV-2) | 4 / 6 | SER A6903VAL A6902GLY B4347GLY B4323 | 1.79A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897SER A6896VAL A6916GLY A6911 | 1.53A | SAH A7101 (-2.7A)NoneNoneNone | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 4 / 6 | ASP E 14SER D 5VAL D 30GLY D 0 | 1.71A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | SER A 681VAL A 662GLY A 559GLY A 683 | 1.37A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 879SER A 433VAL A 435GLY A 427 | 1.72A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7btf | NSP12NSP7 (SARS-CoV-2) | 4 / 6 | SER C 15SER C 10VAL C 12GLY A 413 | 1.52A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 484SER A 578GLY A 486GLY A 485 | 1.78A | NoneNone ZN A1002 ( 4.7A)None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 879SER A 433VAL A 435GLY A 427 | 1.58A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | SER A 681VAL A 662GLY A 559GLY A 683 | 1.34A | None | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | SER A 681VAL A 662GLY A 559GLY A 683 | 1.34A | NoneNone U T 10 ( 3.5A) U T 10 ( 3.1A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | SER A 561SER A 564GLY A 683GLY A 559 | 1.71A | NoneNone U T 10 ( 3.1A) U T 10 ( 3.5A) | |||
![]() | 1TNL_A_TPAA900_1 (TRYPSIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 879SER A 433VAL A 435GLY A 427 | 1.69A | None |