Ligand ID: OQR Drugbank ID: DB01096(Oxamniquine) Indication:For treatment of Schistosomiasis caused by Schistosoma mansoni |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | ILE F 934LEU E1186GLY D 932THR F 941LEU D1193 | 1.49A | 21.07 | None | ||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 6m03 | MAIN PROTEASE (SARS-CoV-2) | 5 / 10 | ILE A 281LEU A 205LEU A 253ASP A 216PHE A 219 | 1.79A | 21.63 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | PHE A 287LEU A 280MET A 463LEU A 245THR A 246 | 1.61A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | MET A 668GLY A 446THR A 402LEU A 544THR A 409 | 1.65A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | HIS A 309PHE A 313LEU A 308LEU A 245THR A 246 | 1.74A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | ILE B 119LEU B 103VAL A 341GLY A 327LEU A 329 | 1.75A | 22.14 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | HIS A 309PHE A 313LEU A 308MET A 242LEU A 245 | 1.79A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | ILE A 450LEU A 388VAL A 405LEU A 544THR A 409 | 1.78A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | ILE A 450LEU A 388GLY A 446LEU A 544THR A 409 | 1.76A | 14.61 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | PHE A 800VAL A1065GLY A 885PHE A1052MET A 902 | 1.49A | 11.27 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ILE B 805LEU B 877VAL B1033THR B 881THR B 723 | 1.41A | 11.14 | None | ||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 10 | LEU C 56VAL C 36LEU C 223ASP C 287GLU C 191 | 1.77A | 12.03 | None | ||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 10 | LEU B 56VAL B 36LEU B 223ASP B 287GLU B 191 | 1.77A | 12.03 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ILE C 805LEU C 877VAL C1033THR C 881THR C 723 | 1.34A | 11.14 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w41 | SPIKE PROTEIN S1 (SARS-CoV-2) | 5 / 12 | PHE C 377ILE C 434VAL C 367PHE C 342LEU C 387 | 1.77A | 18.50 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | ILE A6969VAL A6992GLY A7006MET A6809THR A6989 | 1.67A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | HIS A6867VAL A6842GLY A6806PHE A7048THR A6993 | 1.73A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w75 | NSP16 (SARS-CoV-2) | 5 / 12 | HIS C6867VAL C6842GLY C6806PHE C7048THR C6993 | 1.73A | 22.39 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w75 | NSP16 (SARS-CoV-2) | 5 / 12 | ILE A6969VAL A6992GLY A7006MET A6809THR A6989 | 1.70A | 22.39 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w75 | NSP16 (SARS-CoV-2) | 5 / 12 | HIS A6867VAL A6842GLY A6806PHE A7048THR A6993 | 1.71A | 22.39 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w75 | NSP16 (SARS-CoV-2) | 5 / 12 | ILE C6969VAL C6992GLY C7006MET C6809THR C6989 | 1.68A | 22.39 | None | ||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 10 | MET B 243ILE B 123VAL B 165PHE B 173GLU B 167 | 1.70A | 20.76 | None | ||
![]() | 5TIX_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 9 | MET B 169LEU B 120LEU B 101ILE B 276PHE B 304 | 1.74A | 20.76 | None | ||
![]() | 5TIX_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 9 | MET A 169LEU A 120LEU A 101ILE A 276PHE A 304 | 1.78A | 20.76 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | PHE B 304LEU B 101GLY B 163MET B 169THR B 168 | 1.61A | None | |||
![]() | 5TIX_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 9 | MET C 169LEU C 120LEU C 101ILE C 276PHE C 304 | 1.74A | 20.76 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | PHE C 304LEU C 101GLY C 163MET C 169THR C 168 | 1.57A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 5 / 12 | PHE A 304LEU A 101GLY A 163MET A 169THR A 168 | 1.62A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 5 / 12 | ILE A 65LEU A 69GLY A 38PHE A 56THR A 35 | 1.71A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6w9q | 3C-LIKE PROTEINASEPEPTIDE, NSP9 FUSION (SARS-CoV-2) | 5 / 12 | LEU A 69VAL A 41GLY A 37THR A 67THR A 35 | 1.61A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | ILE C6969VAL C6992GLY C7006MET C6809THR C6989 | 1.68A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | HIS C6867VAL C6842GLY C6806PHE C7048THR C6993 | 1.73A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | HIS A6867VAL A6842GLY A6806PHE A7048THR A6993 | 1.72A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | ILE A6969VAL A6992GLY A7006MET A6809THR A6989 | 1.72A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | ILE C 157LEU C 161VAL C 72GLY C 147PHE C 53 | 1.76A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wkq | NSP16 (SARS-CoV-2) | 5 / 12 | HIS A6867VAL A6842GLY A6806PHE A7048THR A6993 | 1.71A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wkq | NSP16 (SARS-CoV-2) | 5 / 12 | HIS C6867VAL C6842GLY C6806PHE C7048THR C6993 | 1.71A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wkq | NSP16 (SARS-CoV-2) | 5 / 12 | ILE A6969VAL A6992GLY A7006MET A6809THR A6989 | 1.70A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wkq | NSP16 (SARS-CoV-2) | 5 / 12 | ILE C6969VAL C6992GLY C7006MET C6809THR C6989 | 1.68A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | ILE A 144LEU A 163VAL A 173GLY A 147PHE A 177 | 1.74A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | PHE B 342ILE B 236VAL B 304GLY B 230LEU B 312 | 1.69A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | PHE B 342ILE B 236GLY B 230PHE B 233LEU B 312 | 1.56A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | PHE A 342ILE A 236GLY A 230PHE A 233LEU A 312 | 1.59A | NoneNoneSO4 A 410 (-3.9A)NoneNone | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | ILE B 281GLY B 254PHE B 241THR B 286LEU B 201 | 1.61A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 5 / 12 | ILE A 281GLY A 254PHE A 241THR A 286LEU A 201 | 1.60A | NoneNoneNoneNoneEDO A 405 (-4.1A) | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | ILE A6969VAL A6992GLY A7006MET A6809THR A6989 | 1.70A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | HIS A6867VAL A6842GLY A6806PHE A7048THR A6993 | 1.72A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 5 / 12 | ILE A6866LEU A6959VAL A6965GLY A6869PHE A6954 | 1.79A | NoneNoneNoneSAH A7101 (-3.8A)None | |||
![]() | 5TIX_A_OQRA302_0 (SULFOTRANSFERASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 9 | MET A 169LEU A 120LEU A 101ILE A 276PHE A 304 | 1.77A | 21.16 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 12 | LEU A 64VAL A 57THR A 9MET A 84LEU A 87 | 1.65A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 12 | PHE A 304LEU A 101GLY A 163MET A 169THR A 168 | 1.63A | None | |||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 10 | MET A 243ILE A 123VAL A 165PHE A 173GLU A 167 | 1.73A | 21.16 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7btf | NSP12 (SARS-CoV-2) | 5 / 12 | ILE A 450LEU A 388VAL A 405LEU A 544THR A 409 | 1.67A | None | |||
![]() | 5TIX_A_OQRA302_0 (SULFOTRANSFERASE) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 9 | MET D 90LEU D 91LEU D 98ASP A 421PHE A 415 | 1.77A | 20.30 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7btf | NSP12 (SARS-CoV-2) | 5 / 12 | MET A 668GLY A 446THR A 402LEU A 544THR A 409 | 1.52A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7btf | NSP12 (SARS-CoV-2) | 5 / 12 | LEU A 49VAL A 31PHE A 35LEU A 119THR A 120 | 1.78A | None | |||
![]() | 5TIX_B_OQRB302_0 (SULFOTRANSFERASE) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 10 | MET D 90LEU D 91LEU D 98ASP A 421PHE A 415 | 1.77A | 20.30 | None | ||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7btf | NSP12 (SARS-CoV-2) | 5 / 12 | PHE A 287LEU A 280MET A 463LEU A 245THR A 246 | 1.61A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 12 | PHE A 287LEU A 280MET A 463LEU A 245THR A 246 | 1.64A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | MET A 668GLY A 446THR A 402LEU A 544THR A 409 | 1.52A | None | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | PHE A 506ILE A 562GLY A 559THR A 567THR A 540 | 1.48A | NoneNone U T 10 ( 3.5A)NoneNone | |||
![]() | 5BYJ_A_OQRA302_0 (SULFOTRANSFERASE) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 12 | PHE A 287LEU A 280MET A 463LEU A 245THR A 246 | 1.68A | None |