Ligand ID: SPP Drugbank ID: DB00705(Delavirdine) Indication:For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 2ajf | SPIKE PROTEIN (SARSr-CoV) | 5 / 11 | LEU F 421VAL F 354TYR F 352PRO F 324PHE F 325 | 1.76A | 13.93 | NoneNAG F1330 (-4.8A)NoneNoneNone | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 11 | LEU A 173TYR A 137PRO A 131LEU A 133TYR A 155 | 1.75A | 19.25 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 2ghw | ANTI-SCFV ANTIBODY,80R (Homosapiens) | 5 / 11 | LEU D 45LYS D 43VAL D 217TYR D 168TRP D 107 | 1.45A | 17.06 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 3d0h | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 11 | LEU B 595LYS B 596VAL B 604LEU B 240PRO B 235 | 1.63A | 21.80 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 3e9s | NSP3 (SARSr-CoV) | 5 / 11 | LEU A 173TYR A 137PRO A 131LEU A 133TYR A 155 | 1.70A | 19.54 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 3sci | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 11 | LEU F 421VAL F 354TYR F 352PRO F 324PHE F 325 | 1.78A | 18.00 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 4m0w | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 11 | LEU A 173TYR A 137PRO A 131LEU A 133TYR A 155 | 1.76A | 19.65 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 4ow0 | PAPAIN-LIKE PROTEASE (SARS-COVUrbani) | 5 / 11 | LEU B 173TYR B 137PRO B 131LEU B 133TYR B 155 | 1.72A | 19.36 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 5e6j | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 11 | LEU D 173TYR D 137PRO D 131LEU D 133TYR D 155 | 1.69A | 19.29 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 5tl7 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 11 | LEU B 173TYR B 137PRO B 131LEU B 133TYR B 155 | 1.66A | 19.54 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 5tl7 | UBIQUITIN-LIKEPROTEIN ISG15 (Musmusculus) | 5 / 11 | LEU C 140VAL C 96TYR C 138LEU C 98PRO C 79 | 1.78A | 9.30 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 11 | LEU C 264LYS C 265TYR C 41PHE A 548TYR C 266 | 1.69A | 18.52 | LEU C 264 ( 0.6A)LYS C 265 ( 0.0A)TYR C 41 ( 1.3A)PHE A 548 ( 1.3A)TYR C 266 ( 1.3A) | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 5y3q | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 11 | LEU A 173TYR A 137PRO A 131LEU A 133TYR A 155 | 1.71A | 19.12 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6acg | ACE2 (Homosapiens) | 5 / 11 | LEU D 444LYS D 441TYR D 237PHE D 274TRP D 275 | 1.50A | 21.94 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 11 | TYR A 197TYR A 41PRO A 259LEU A 257PRO A 61 | 1.61A | 18.61 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 11 | TYR B 197PRO B 259PHE B 59LEU B 257PRO B 61 | 1.63A | 19.22 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6jyt | HELICASE (SARSr-CoV) | 5 / 11 | LEU A 428LYS A 430TYR A 277TYR A 398PRO A 419 | 1.65A | 20.96 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6nb8 | S230 ANTIGEN-BINDING(FAB) FRAGMENT,HEAVY CHAINS230 ANTIGEN-BINDING(FAB) FRAGMENT,LIGHT CHAIN (Homosapiens) | 5 / 11 | LEU L 140VAL H 196PRO H 137LEU H 138PRO H 140 | 1.53A | 16.96 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6vxs | NSP3 (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.61A | NoneSO4 A 203 (-4.0A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6vxs | NSP3 (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.61A | NoneSO4 B 204 (-3.7A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 11 | VAL A 36TYR A 204PRO A 272LEU A 270PRO A 57 | 1.68A | 18.35 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6w02 | NSP3 (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.58A | 17.06 | NoneAPR A 201 ( 4.6A)NoneNoneNone | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6w41 | CR3022 FAB HEAVYCHAINCR3022 FAB LIGHTCHAIN (Homosapiens) | 5 / 11 | LEU H 45LYS H 43VAL L 85TYR L 36TRP H 103 | 1.63A | 14.98 | None | ||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6w6y | NSP3 (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.60A | NoneAMP A 201 ( 4.4A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6w6y | NSP3 (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.59A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6wen | NSP3 (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.59A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6wey | NSP3 (SARS-CoV-2) | 5 / 11 | LEU A 344VAL A 359TYR A 365LEU A 357PRO A 329 | 1.59A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.54A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.51A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 11 | LEU D 140VAL D 155TYR D 161LEU D 153PRO D 125 | 1.54A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 11 | LEU C 140VAL C 155TYR C 161LEU C 153PRO C 125 | 1.54A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 11 | LEU A 36VAL A 7TYR A 56PHE A 31PRO A 46 | 1.69A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 5 / 11 | LEU H 45LYS H 43VAL L 91TYR L 42TRP H 109 | 1.74A | NoneNone1PE L1603 ( 4.8A)NoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yla | LIGHT CHAIN (Homosapiens) | 5 / 11 | LEU C 4LYS C 24VAL C 29TYR C 97LEU C 39 | 1.77A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 5 / 11 | LEU B 45LYS B 43VAL C 91TYR C 42TRP B 109 | 1.72A | NoneNone1PE C 301 (-4.9A)NoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yla | LIGHT CHAIN (Homosapiens) | 5 / 11 | LEU L 4LYS L 24VAL L 29TYR L 97LEU L 39 | 1.78A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ym0 | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 5 / 11 | LEU H 45LYS H 43VAL L 91TYR L 42TRP H 109 | 1.74A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 5 / 11 | LEU H 45LYS H 43VAL L 91TYR L 42TRP H 109 | 1.74A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yor | IGG L CHAIN (Homosapiens) | 5 / 11 | LEU C 4LYS C 24VAL C 29TYR C 97LEU C 39 | 1.78A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 5 / 11 | LEU B 45LYS B 43VAL C 91TYR C 42TRP B 109 | 1.74A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6yor | IGG L CHAIN (Homosapiens) | 5 / 11 | LEU L 4LYS L 24VAL L 29TYR L 97LEU L 39 | 1.77A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.55A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.56A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU E 140VAL E 155TYR E 161LEU E 153PRO E 125 | 1.59A | NoneEDO E 205 ( 4.2A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU C 140VAL C 155TYR C 161LEU C 153PRO C 125 | 1.57A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywk | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU D 140VAL D 155TYR D 161LEU D 153PRO D 125 | 1.59A | NoneEDO D 208 ( 4.2A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU C 140VAL C 155TYR C 161LEU C 153PRO C 125 | 1.56A | NoneAPR C 201 ( 4.9A)EDO C 203 (-4.5A)NoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU D 140VAL D 155TYR D 161LEU D 153PRO D 125 | 1.58A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU E 140VAL E 155TYR E 161LEU E 153PRO E 125 | 1.56A | NoneAPR E 201 ( 4.9A)EDO E 203 (-4.0A)NoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.56A | None | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.55A | NoneAPR A 201 ( 4.8A)EDO A 203 (-3.9A)NoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU C 140VAL C 155TYR C 161LEU C 153PRO C 125 | 1.55A | NoneEDO C 206 ( 4.2A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU B 140VAL B 155TYR B 161LEU B 153PRO B 125 | 1.58A | NoneEDO B 202 (-4.0A)NoneNoneNone | |||
![]() | 1KLM_A_SPPA999_1 (HIV-1 REVERSETRANSCRIPTASE) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 5 / 11 | LEU A 140VAL A 155TYR A 161LEU A 153PRO A 125 | 1.58A | None |