Ligand ID: 4AP Drugbank ID: DB06637(Dalfampridine) Indication:Dalfampridine is a neurofunctional modifier that helps improve walking speed in patients with multiple sclerosis (MS). |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 1z1j | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY B1011LYS B1012GLY B1015LEU B1032 | 1.28A | 22.51 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2alv | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 8 | GLY A 183GLY A 174MET A 165LEU A 167 | 1.25A | 22.51 | NoneNoneNoneCY6 A1145 ( 4.9A) | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 4 / 8 | GLY A 299THR A 266GLY B 228ASP B 230 | 1.12A | 22.55 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gdt | NSP1 (EC 3.4.22.-) P65 HOMOLOGLEADER PROTEIN (SARSr) | 4 / 8 | THR A 68GLY A 71LEU A 66ASP A 64 | 1.49A | 16.00 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gdt | NSP1 (EC 3.4.22.-) P65 HOMOLOGLEADER PROTEIN (SARSr) | 4 / 8 | GLY A 116LYS A 114GLY A 1LEU A 66 | 0.69A | 16.00 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gdt | NSP1 (EC 3.4.22.-) P65 HOMOLOGLEADER PROTEIN (SARSr) | 4 / 8 | HIS A 2GLY A 116GLY A 116LEU A 112 | 0.95A | 16.00 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gdt | NSP1 (EC 3.4.22.-) P65 HOMOLOGLEADER PROTEIN (SARSr) | 4 / 8 | HIS A 2GLY A 116GLY A 116LEU A 66 | 1.18A | 16.00 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gtb | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 11LYS A 12GLY A 15LEU A 30 | 1.14A | 22.06 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2gx4 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 11LYS A 12GLY A 15LEU A 30 | 1.07A | 22.51 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2qc2 | 3C-LIKE PROTEINASE (-) | 4 / 8 | GLY B 183GLY B 174MET B 165LEU B 167 | 1.17A | 22.09 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 2qcy | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 183GLY A 174MET A 165LEU A 167 | 1.26A | 22.51 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3aw1 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 11LYS A 12GLY A 15LEU A 30 | 1.12A | 22.51 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3d0g | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 8 | HIS B 378GLY B 399GLY B 395ASP B 382 | 1.19A | 19.80 | ZN B 901 (-3.4A)NoneNoneNone | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3d62 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 183GLY A 174MET A 165LEU A 167 | 1.11A | 23.08 | NoneNone959 A 350 (-4.4A)None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3f9e | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 11LYS A 12GLY A 15LEU A 32 | 1.09A | 22.38 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3i6l | HLA, A-24 (Homosapiens) | 4 / 8 | GLY D 107GLY D 1LEU D 179ASP D 29 | 1.24A | 20.13 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY B 11LYS B 12GLY B 15LEU B 30 | 1.27A | 22.22 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3m3t | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 183GLY A 174MET A 165LEU A 167 | 1.19A | 22.38 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3m3v | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 11LYS A 12GLY A 15LEU A 30 | 1.16A | 22.87 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3sck | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 8 | HIS B 378GLY B 399GLY B 395ASP B 382 | 1.16A | 19.80 | ZN B 901 (-3.7A)NoneNoneNone | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 3sna | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 8 | GLY A 183GLY A 174MET A 165LEU A 167 | 1.24A | 22.94 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 4m0w | REPLICASEPOLYPROTEIN 1AUBIQUITIN (Bostaurus;SARSr-CoV) | 4 / 6 | SER A 116VAL A 166GLY B 76GLY A 164 | 1.42A | 20.92 | NA A 402 (-2.8A)NoneNoneNone | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 5c8t | GUANINE-N7METHYLTRANSFERASENSP10 (SARSr-CoV) | 4 / 8 | GLY D 6THR D 103GLY C 2LEU D 54 | 1.25A | 19.58 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 5nfy | POLYPROTEIN 1AB (SARS-COVFrankfurt1) | 4 / 8 | GLY D 6THR D 103GLY O 2LEU D 54 | 1.24A | 20.00 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 5wrg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | SER C1033VAL C1047GLY C1026GLY C1028 | 1.13A | 12.12 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 5x58 | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 6 | SER B1033VAL B1047GLY B1026GLY B1028 | 1.41A | 12.20 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 5x5f | S PROTEIN (MERS-CoV) | 4 / 6 | SER A 440VAL A 584GLY A 578GLY A 610 | 1.24A | 10.08 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | SER A1033VAL A1047GLY A1026GLY A1028 | 1.19A | 12.12 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6acj | ACE2 (Homosapiens) | 4 / 8 | HIS D 401GLY D 399GLY D 395ASP D 382 | 1.20A | 19.97 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6crv | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | SER C1012VAL B1022GLY B1026GLY B1028 | 1.08A | 12.15 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 8 | HIS A1030GLY A1026GLY A1028LEU A1031 | 1.26A | 12.66 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6cs2 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | SER B1012VAL A1022GLY A1026GLY A1028 | 1.17A | 12.15 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6jyt | HELICASE (SARSr-CoV) | 4 / 8 | GLY A 285GLY A 282LEU A 461ASP A 458 | 1.24A | 18.60 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6m17 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 4 / 6 | SER C 288VAL C 441GLY C 434GLY C 285 | 1.04A | 16.64 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6m18 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 4 / 8 | GLY C 115THR C 121GLY C 284LEU C 494 | 1.28A | 18.24 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | SER B1012VAL C1022GLY C1026GLY C1028 | 1.29A | 12.05 | None | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6nur | NSP12 (SARSr-CoV) | 4 / 6 | SER A 681VAL A 662GLY A 559GLY A 683 | 1.27A | 13.83 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6vw1 | ACE2 (Homosapiens) | 4 / 8 | HIS B 378GLY B 399GLY B 395ASP B 382 | 1.20A | 19.97 | ZN B 703 ( 4.6A)NoneNoneNone | ||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6w41 | CR3022 FAB HEAVYCHAIN (Homosapiens) | 4 / 6 | SER H 180SER H 153VAL H 152GLY H 139 | 1.79A | 21.52 | None | ||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 8 | HIS C 204LYS C 151THR C 203LEU C 207 | 1.71A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 6 | SER L 25SER L 28VAL L 29GLY L 72 | 1.65A | None | |||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6yla | LIGHT CHAIN (Homosapiens) | 4 / 8 | HIS L 204LYS L 151THR L 203LEU L 207 | 1.70A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 4 / 6 | SER H 183SER L 137VAL L 139GLY H 143 | 1.49A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 6 | SER B 190SER B 131GLY B 137GLY B 138 | 1.46A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 4 / 6 | SER B 183SER C 137VAL C 139GLY B 143 | 1.51A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 6 | SER H 184SER H 157VAL H 156GLY H 143 | 1.78A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 6 | SER B 184SER B 157VAL B 156GLY B 143 | 1.78A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6ym0 | HEAVY CHAIN (Homosapiens) | 4 / 6 | SER H 184SER H 157VAL H 156GLY H 143 | 1.76A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6ym0 | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 4 / 6 | SER H 183SER L 137VAL L 139GLY H 143 | 1.52A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6ym0 | LIGHT CHAIN (Homosapiens) | 4 / 6 | SER L 25SER L 28VAL L 29GLY L 72 | 1.65A | None | |||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 8 | HIS C 204LYS C 151THR C 203LEU C 207 | 1.70A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 4 / 6 | SER B 183SER C 137VAL C 139GLY B 143 | 1.49A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 6 | SER C 25SER C 28VAL C 29GLY C 72 | 1.65A | None | |||
![]() | 1AEG_A_4APA296_1 (CYTOCHROME CPEROXIDASE) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 8 | HIS L 204LYS L 151THR L 203LEU L 207 | 1.69A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 4 / 6 | SER H 183SER L 137VAL L 139GLY H 143 | 1.50A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 6 | SER B 184SER B 157VAL B 156GLY B 143 | 1.79A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG L CHAIN (Homosapiens) | 4 / 6 | SER L 25SER L 28VAL L 29GLY L 72 | 1.65A | None | |||
![]() | 3RXF_A_4APA9_1 (CATIONIC TRYPSIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 6 | SER H 184SER H 157VAL H 156GLY H 143 | 1.78A | None |