Ligand ID: 6U9 Drugbank ID: DB00393(Nimodipine) Indication:For use as an adjunct to improve neurologic outcome following subarachnoid hemorrhage (SAH) from ruptured intracranial berry aneurysms by reducing the incidence and severity of ischemic deficits. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6m71 | NSP8 (SARS-CoV-2) | 4 / 6 | THR B 146GLY B 144GLU B 155ILE B 172 | 1.60A | 19.44 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | GLY C 798PHE C 800TYR B 707ILE C 882 | 0.99A | 11.83 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | GLY B 798PHE B 800TYR A 707ILE B 882 | 1.03A | 12.52 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | GLY A 798PHE A 800TYR C 707ILE A 882 | 1.04A | 12.52 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w41 | CR3022 FAB LIGHTCHAINSPIKE PROTEIN S1 (Homosapiens;SARS-CoV-2) | 4 / 6 | GLY C 431PHE C 515TYR L 27ILE L 28 | 1.57A | 18.25 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w4h | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.13A | 17.04 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w61 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.14A | 16.07 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | THR A6949GLY A6946GLU A6945PHE A6947 | 1.48A | 19.03 | NoneEDO A7102 (-3.2A)NoneEDO A7102 (-3.8A) | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY A6983GLU A7015PHE A6985ILE A7005 | 1.44A | 19.03 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w61 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY A6946GLU A6945PHE A6947ILE A6969 | 1.78A | 19.03 | EDO A7102 (-3.2A)NoneEDO A7102 (-3.8A)None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w61 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4354GLU B4319PHE B4363ILE B4308 | 1.29A | 16.07 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.13A | 17.04 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | THR A6949GLY A6946GLU A6945PHE A6947 | 1.56A | 20.77 | NoneFMT A7108 ( 4.8A)NoneSAM A7102 ( 4.8A) | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4354GLU D4319PHE D4363ILE D4308 | 1.24A | 17.04 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | THR C6949GLY C6946GLU C6945PHE C6947 | 1.51A | 20.77 | NoneFMT C7115 ( 3.0A)NoneFMT C7115 ( 3.5A) | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4304GLY D4305GLU D4313ILE D4352 | 1.13A | 17.04 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | GLY A6946GLU A6945PHE A6947ILE A6969 | 1.63A | 20.77 | FMT A7108 ( 4.8A)NoneSAM A7102 ( 4.8A)None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | GLY C6946GLU C6945PHE C6947ILE C6969 | 1.62A | 20.77 | FMT C7115 ( 3.0A)NoneFMT C7115 ( 3.5A)None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 6 | GLY C6983GLU C7015PHE C6985ILE C7005 | 1.38A | 20.77 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6w75 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4354GLU B4319PHE B4363ILE B4308 | 1.24A | 17.04 | None | ||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR D 332GLY C 335TYR C 333ILE C 320 | 1.71A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR C 332GLY D 335TYR D 333ILE D 320 | 1.69A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR F 332GLY E 335TYR E 333ILE E 320 | 1.70A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR B 332GLY A 335TYR A 333ILE A 320 | 1.68A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR A 332GLY B 335TYR B 333ILE B 320 | 1.68A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR E 332GLY F 335TYR F 333ILE F 320 | 1.70A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.12A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4354GLU D4319PHE D4363ILE D4308 | 1.26A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | THR A6949GLY A6946GLU A6945PHE A6947 | 1.51A | NoneNoneFMT A7108 (-3.8A)SAH A7102 (-4.7A) | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4304GLY D4305GLU D4313ILE D4352 | 1.12A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4354GLU B4319PHE B4363ILE B4308 | 1.35A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | THR C6949GLY C6946GLU C6945PHE C6947 | 1.48A | NoneNoneNoneSAH C7102 (-4.6A) | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY C6983GLU C7015PHE C6985ILE C7005 | 1.38A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY A6946GLU A6945PHE A6947ILE A6969 | 1.60A | NoneFMT A7108 (-3.8A)SAH A7102 (-4.7A)None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY C6946GLU C6945PHE C6947ILE C6969 | 1.60A | NoneNoneSAH C7102 (-4.6A)None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR C 165GLY C 71TYR C 87ILE C 131 | 1.76A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | THR A 165GLY A 71TYR A 87ILE A 131 | 1.72A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4354GLU D4319PHE D4363ILE D4308 | 1.24A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | THR C6949GLY C6946GLU C6945PHE C6947 | 1.51A | NoneFMT C7105 ( 2.9A)NoneFMT C7105 ( 3.5A) | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | GLY A6946GLU A6945PHE A6947ILE A6969 | 1.60A | NoneNoneSFG A7103 ( 4.8A)None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 6 | THR D4304GLY D4305GLU D4313ILE D4352 | 1.12A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | THR A6949GLY A6946GLU A6945PHE A6947 | 1.53A | NoneNoneNoneSFG A7103 ( 4.8A) | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | GLY C6983GLU C7015PHE C6985ILE C7005 | 1.38A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 6 | GLY C6946GLU C6945PHE C6947ILE C6969 | 1.58A | FMT C7105 ( 2.9A)NoneFMT C7105 ( 3.5A)None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4354GLU B4319PHE B4363ILE B4308 | 1.24A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wkq | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.13A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | THR A 121GLY A 141PHE A 135ILE A 144 | 1.63A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | THR B 121GLY B 141PHE B 124ILE B 144 | 1.65A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | THR A 121GLY A 141PHE A 124ILE A 144 | 1.66A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 6 | THR B 121GLY B 141PHE B 135ILE B 144 | 1.61A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wq3 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4354GLU B4319PHE B4363ILE B4308 | 1.27A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | THR A6949GLY A6946GLU A6945PHE A6947 | 1.54A | NoneNoneNoneSAH A7101 ( 4.8A) | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wq3 | NSP10 (SARS-CoV-2) | 4 / 6 | THR B4304GLY B4305GLU B4313ILE B4352 | 1.12A | NoneNoneSO4 B4403 ( 4.5A)None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6wq3 | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 6 | GLY A6983GLU A7015PHE A6985ILE A7005 | 1.36A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6yhu | REPLICASEPOLYPROTEIN 1A (SARS-CoV-2) | 4 / 6 | THR B 145GLU B 155PHE B 147ILE B 120 | 1.79A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6yi3 | NUCLEOPROTEIN (SARS-CoV-2) | 4 / 6 | THR A 125GLY A 31TYR A 47ILE A 91 | 1.57A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6ym0 | LIGHT CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARS-CoV-2) | 4 / 6 | GLY E 431PHE E 515TYR L 31ILE L 34 | 1.80A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | GLY E 476PHE E 486TYR E 473ILE E 472 | 1.72A | None | |||
![]() | 5KMF_A_6U9A1301_1 (ION TRANSPORTPROTEIN) | 7btf | NSP8 (SARS-CoV-2) | 4 / 6 | THR D 145GLU D 155PHE D 147ILE D 120 | 1.72A | None |