Ligand ID: PFN Drugbank ID: DB00573(Fenoprofen) Indication:For relief of the signs and symptoms of rheumatoid arthritis and osteoarthritis. Also for the relief of mild to moderate pain. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 11 | LEU A 167HIS A 41MET A 49THR A 175PRO A 39 | 1.72A | 16.30 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 4 / 6 | VAL B1189SER B 937ALA B 930PHE B 927 | 1.73A | 19.23 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6m03 | MAIN PROTEASE (SARS-CoV-2) | 5 / 11 | LEU A 167HIS A 41MET A 49THR A 175PRO A 39 | 1.71A | 22.56 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6m2q | 3CL PROTEASE (SARS-CoV-2) | 5 / 11 | LEU A 167HIS A 41MET A 49THR A 175PRO A 39 | 1.74A | 22.56 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6m3m | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 11 | LEU C 162LEU C 168LEU C 160THR B 166PRO B 68 | 1.77A | 18.02 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 208SER A 236ALA A 46PHE A 48 | 1.71A | 15.47 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 373SER A 561ALA A 660PHE A 348 | 1.50A | 15.47 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 315SER A 664ALA A 656PHE A 652 | 1.36A | 15.47 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 11 | TYR A 175LEU A 178LEU A 127LEU A 146LYS A 143 | 1.72A | 17.36 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 11 | TYR B 91LEU B 223LYS B 206THR B 95PRO B 217 | 1.73A | 15.64 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | VAL C1061SER C 937ALA C 930PHE C 927 | 1.44A | 14.40 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | VAL B1061SER B 937ALA B 930PHE B 927 | 1.33A | 14.00 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | VAL C1061SER C 937ALA C 930PHE C 927 | 1.35A | 14.00 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6w4h | NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.54A | 23.56 | None | ||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6w4h | NSP16 (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.71A | 22.19 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.55A | None | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.70A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.58A | 18.84 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895VAL C6865ALA C6877PHE C6901 | 1.55A | 18.84 | None | ||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 4 | TYR C7009LEU C7073LEU C7010HIS C6984 | 1.72A | 20.17 | NA C7103 ( 4.8A)NoneNoneNone | ||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.71A | 20.17 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP C6895VAL C6865ALA C6877PHE C6901 | 1.55A | None | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 4 | TYR C7009LEU C7073LEU C7010HIS C6984 | 1.72A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897ASP A6928ALA A6877PHE A6901 | 1.70A | SAH A7102 (-2.6A)SAH A7102 (-3.7A)NoneNone | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.72A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.57A | None | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.70A | None | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 4 | TYR C7009LEU C7073LEU C7010HIS C6984 | 1.72A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.58A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | ASP C6895VAL C6865ALA C6877PHE C6901 | 1.55A | None | |||
![]() | 2X7H_B_PFNB1374_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 4 | TYR A7009LEU A7073LEU A7010HIS A6984 | 1.72A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6895VAL A6865ALA A6877PHE A6901 | 1.57A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | ASP A6897ASP A6928ALA A6877PHE A6901 | 1.68A | SAH A7101 (-2.7A)SAH A7101 (-3.7A)NoneNone | |||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6wqf | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 11 | LEU A 167HIS A 41MET A 49THR A 175PRO A 39 | 1.78A | 22.56 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 11 | LEU A 167HIS A 41MET A 49THR A 175PRO A 39 | 1.72A | 16.30 | None | ||
![]() | 2X7H_B_PFNB1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.78A | 21.01 | NoneNoneDMS L1601 (-4.2A)None | ||
![]() | 2X7H_A_PFNA1375_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.78A | 21.01 | NoneNoneDMS L1601 (-4.2A)None | ||
![]() | 2X7H_A_PFNA1375_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.65A | 21.01 | None | ||
![]() | 2X7H_B_PFNB1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.65A | 21.01 | None | ||
![]() | 2X7H_A_PFNA1375_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.77A | 20.65 | None | ||
![]() | 2X7H_B_PFNB1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER A 514PHE A 429VAL A 382TYR A 396 | 1.78A | 20.65 | None | ||
![]() | 2X7H_A_PFNA1375_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER A 514PHE A 429VAL A 382TYR A 396 | 1.78A | 20.65 | None | ||
![]() | 2X7H_B_PFNB1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 5 | SER E 514PHE E 429VAL E 382TYR E 396 | 1.77A | 20.65 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 7btf | NSP12NSP7 (SARS-CoV-2) | 5 / 11 | LEU C 56LEU C 59LEU C 55HIS C 36PRO A 412 | 1.75A | 13.26 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 315SER A 664ALA A 656PHE A 652 | 1.73A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 208SER A 236ALA A 46PHE A 48 | 1.70A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7btf | NSP12NSP8 (SARS-CoV-2) | 4 / 6 | ASP B 112VAL A 353SER A 325ALA B 110 | 1.49A | None | |||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 7btf | NSP7NSP8 (SARS-CoV-2) | 5 / 11 | LEU C 56LEU D 103LEU C 55LYS C 51PRO D 121 | 1.79A | 13.26 | None | ||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 373ASP A 377SER A 561ALA A 660 | 1.78A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 373SER A 561ALA A 660PHE A 348 | 1.74A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 373SER A 561ALA A 660PHE A 348 | 1.62A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 315SER A 664ALA A 656PHE A 652 | 1.43A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 662ASP A 684SER A 635ALA A 688 | 1.48A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 208SER A 236ALA A 46PHE A 48 | 1.77A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 4 / 6 | ASP B 112VAL A 353SER A 325ALA B 110 | 1.48A | None | |||
![]() | 4NED_A_PFNA709_1 (LACTOTRANSFERRIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | VAL A 315SER A 664ALA A 656PHE A 652 | 1.70A | None | |||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 5 / 11 | TYR A 515LEU A 372MET B 87THR A 538PRO A 505 | 1.77A | 17.15 | None | ||
![]() | 2X7H_A_PFNA1372_1 (ZINC-BINDING ALCOHOLDEHYDROGENASEDOMAIN-CONTAININGPROTEIN 2) | 7bv2 | NSP12NSP7 (SARS-CoV-2) | 5 / 11 | LEU C 56LEU C 59LEU C 55HIS C 36PRO A 412 | 1.78A | 13.24 | None |