Ligand ID: 5CH Drugbank ID: DB01628(Etoricoxib) Indication:For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 1z1j | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.55A | 22.01 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 3iwm | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.62A | 22.01 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 4hi3 | 3C-LIKE PROTEINASE (SARSr-CoV) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.58A | 22.34 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 4rna | PAPAIN-LIKE PROTEASE (Humanbetacoronavirus2cEMC/2012) | 4 / 4 | THR A 308VAL A 280GLY A 277THR A 274 | 1.59A | 22.02 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5c8u | GUANINE-N7METHYLTRANSFERASENSP10 (SARSr-CoV) | 4 / 4 | THR A 39VAL A 108GLY A 69THR B 21 | 1.53A | 16.62 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5nfy | POLYPROTEIN 1AB (SARS-COVFrankfurt1) | 4 / 4 | THR O 39VAL O 108GLY O 69THR D 21 | 1.44A | 16.28 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.77A | 17.61 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5wrg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 4 | THR C 539VAL C 562GLY C 534THR C 533 | 1.42A | 14.29 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5x29 | ENVELOPE SMALLMEMBRANE PROTEIN (SARSr-CoV) | 4 / 4 | THR E 9VAL E 14GLY D 10THR D 11 | 1.41A | 12.35 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 4 | THR C 698VAL C1078GLY C1081THR C1082 | 1.50A | 14.61 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 5x5c | S PROTEIN (MERS-CoV) | 4 / 4 | THR C 574VAL C 584GLY C 578THR C 579 | 1.14A | 13.54 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6ack | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 4 | THR B1009VAL B1015GLY B1026THR B1048 | 1.47A | 14.87 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6crv | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 4 | THR C 693VAL C1078GLY C1081THR C1082 | 1.54A | 14.48 | NoneNoneNoneNAG C1308 (-3.6A) | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 4 | THR B 693VAL B1078GLY B1081THR B1082 | 1.25A | 14.55 | NoneNoneNoneNAG B1315 (-3.6A) | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.70A | 23.82 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.73A | 23.76 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 4 | THR B 198VAL B 204GLY B 109THR B 111 | 1.70A | 23.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 4 | THR C 198VAL C 204GLY C 109THR C 111 | 1.74A | 23.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 4 | THR D 198VAL D 204GLY D 109THR D 111 | 1.79A | 23.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.69A | 23.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 276VAL A 299GLY A 345THR A 344 | 1.65A | 15.47 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 393VAL A 398GLY A 671THR A 402 | 1.75A | 15.47 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 462VAL A 792GLY A 679THR A 680 | 1.76A | 15.47 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 4 | THR C 698VAL C1078GLY C1081THR C1082 | 1.26A | 14.09 | NoneNoneNAG C1344 (-3.7A)None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR A 240VAL A 90GLY A 107THR A 108 | 1.47A | 14.40 | NoneNoneNoneNAG A1317 (-3.7A) | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR B 240VAL B 90GLY B 107THR B 108 | 1.53A | 14.00 | NoneNoneNoneNAG B1303 ( 4.1A) | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR C 284VAL C 47GLY B 566THR B 573 | 1.30A | 14.00 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w41 | CR3022 FAB HEAVYCHAIN (Homosapiens) | 4 / 4 | THR H 191VAL H 184GLY H 133THR H 131 | 1.78A | 18.02 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w41 | CR3022 FAB HEAVYCHAIN (Homosapiens) | 4 / 4 | THR H 77VAL H 5GLY H 8THR H 9 | 1.66A | 18.02 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w41 | CR3022 FAB HEAVYCHAINSPIKE PROTEIN S1 (Homosapiens;SARS-CoV-2) | 4 / 4 | THR H 31VAL C 433GLY C 381THR C 430 | 1.70A | 18.02 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w61 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4364VAL B4369GLY B4305THR B4304 | 1.67A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w61 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4354VAL B4350GLY B4305THR B4304 | 1.68A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4354VAL D4350GLY D4305THR D4304 | 1.62A | 17.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4364VAL D4369GLY D4305THR D4304 | 1.74A | 17.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4364VAL B4369GLY B4305THR B4304 | 1.75A | 17.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4354VAL B4350GLY B4305THR B4304 | 1.63A | 17.63 | None | ||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4364VAL B4369GLY B4305THR B4304 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4354VAL D4350GLY D4305THR D4304 | 1.61A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4354VAL B4350GLY B4305THR B4304 | 1.61A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4364VAL D4369GLY D4305THR D4304 | 1.74A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4354VAL B4350GLY B4305THR B4304 | 1.62A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4354VAL D4350GLY D4305THR D4304 | 1.61A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4364VAL B4369GLY B4305THR B4304 | 1.76A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 4 | THR D4364VAL D4369GLY D4305THR D4304 | 1.74A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wq3 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4354VAL B4350GLY B4305THR B4304 | 1.69A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wq3 | NSP10 (SARS-CoV-2) | 4 / 4 | THR B4364VAL B4369GLY B4305THR B4304 | 1.73A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6wqf | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR A 376VAL A 511GLY A 431THR A 430 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR E 376VAL E 511GLY E 431THR E 430 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 4 | THR H 78VAL H 5GLY H 8THR H 9 | 1.72A | NoneNoneMLI B 304 ( 4.0A)None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yla | HEAVY CHAIN (Homosapiens) | 4 / 4 | THR B 78VAL B 5GLY B 8THR B 9 | 1.71A | NoneNoneMLI H 305 (-3.2A)MLI B 304 (-4.0A) | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6ym0 | HEAVY CHAIN (Homosapiens) | 4 / 4 | THR H 78VAL H 5GLY H 8THR H 9 | 1.78A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR E 376VAL E 511GLY E 431THR E 430 | 1.74A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.80A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 4 | THR B 78VAL B 5GLY B 8THR B 9 | 1.73A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR E 376VAL E 511GLY E 431THR E 430 | 1.74A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yor | IGG H CHAIN (Homosapiens) | 4 / 4 | THR H 78VAL H 5GLY H 8THR H 9 | 1.72A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 4 | THR A 376VAL A 511GLY A 431THR A 430 | 1.75A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.77A | NoneNonePEG A 405 (-3.3A) CL A 406 ( 3.6A) | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.72A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7btf | NSP8 (SARS-CoV-2) | 4 / 4 | THR B 137VAL B 130GLY B 144THR B 145 | 1.73A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 276VAL A 299GLY A 345THR A 344 | 1.70A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7btf | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 20VAL A 11GLY A 25THR A 26 | 1.55A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 4 / 4 | THR A 198VAL A 204GLY A 109THR A 111 | 1.71A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 276VAL A 299GLY A 345THR A 344 | 1.63A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 462VAL A 792GLY A 679THR A 680 | 1.76A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 393VAL A 398GLY A 671THR A 402 | 1.77A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 276VAL A 299GLY A 345THR A 344 | 1.63A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 4 | THR A 393VAL A 398GLY A 671THR A 402 | 1.72A | None | |||
![]() | 3CFL_A_5CHA693_1 (LACTOTRANSFERRIN) | 7bv2 | NSP8 (SARS-CoV-2) | 4 / 4 | THR B 137VAL B 130GLY B 144THR B 145 | 1.71A | None |