Ligand ID: RLT Drugbank ID: DB06817(Raltegravir) Indication:For the treatment of HIV-1 infection in conjunction with other antiretrovirals. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 5r80 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 4 / 6 | ASP A 153ASN A 151TYR A 101ASP A 155 | 1.51A | 21.20 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 39ALA A 43TYR A 728ASP A 711 | 1.71A | 12.58 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 623ALA A 625TYR A 458ASP A 452 | 1.61A | 12.58 | None | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6m71 | NSP12NSP7 (SARS-CoV-2) | 4 / 7 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.52A | 18.47 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 8 | ASP A 865PRO A 834TYR A 831PRO A 868 | 1.57A | 18.47 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 126ALA A 130TYR A 129ASP A 208 | 1.67A | 12.58 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6m71 | NSP12NSP7 (SARS-CoV-2) | 4 / 8 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.47A | 18.47 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.77A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 39ALA A 43TYR A 728ASP A 208 | 1.29A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 221ASN A 39ALA A 43TYR A 728 | 1.74A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.74A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 618ASN A 790ALA A 625TYR A 458 | 1.36A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6m71 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 507ALA A 502TYR A 515ASP A 499 | 1.64A | 12.58 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 8 | ASP A 614GLN A 613TYR A 612GLN A 644 | 1.36A | 16.22 | NoneNoneNoneNAG A1302 (-3.6A) | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | TYR C1138PRO C1143GLN C1142GLU C1144 | 1.42A | 16.22 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6vxs | NSP3 (SARS-CoV-2) | 4 / 8 | ASP A 105GLN A 107PRO A 98GLU A 104 | 1.70A | None | |||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6vxs | NSP3 (SARS-CoV-2) | 4 / 7 | ASP A 105GLN A 107PRO A 98GLU A 104 | 1.73A | None | |||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6vxs | NSP3 (SARS-CoV-2) | 4 / 7 | ASP B 105GLN B 107PRO B 98GLU B 104 | 1.71A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6vxs | NSP3 (SARS-CoV-2) | 4 / 8 | ASP B 105GLN B 107PRO B 98GLU B 104 | 1.76A | None | |||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 7 | GLN A1106TYR A1067GLN A1071GLU A1072 | 1.60A | 15.97 | NoneNoneNAG A1312 ( 4.4A)None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w01 | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 8 | GLN B 176PRO B 158TYR B 179GLU B 192 | 1.70A | 20.32 | NoneEDO B 407 ( 4.9A)NoneEDO B 410 ( 3.6A) | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w4h | NSP16 (SARS-CoV-2) | 4 / 8 | ASP A6824GLN A6826PRO A7034GLU A6971 | 1.60A | 23.21 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w75 | NSP16 (SARS-CoV-2) | 4 / 8 | GLN C6801TYR C6851PRO C6805GLN C6847 | 1.80A | 16.20 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 6 | ASP A 76ASN A 156ALA A 153TYR A 83 | 1.75A | 20.32 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 8 | PRO C 248TYR C 264PRO C 299GLN C 250 | 1.62A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 8 | PRO A 247PRO A 299GLN A 250GLU A 263 | 1.32A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6w9c | PAPAIN-LIKEPROTEINASE (SARS-CoV-2) | 4 / 8 | PRO B 247PRO B 299GLN B 250GLU B 263 | 1.31A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6wiq | NSP8 (SARS-CoV-2) | 4 / 6 | ASP B 112ASN B 108ALA B 110ASP B 134 | 1.74A | 19.74 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | ASP B 340ASP B 343ASN B 345ALA E 267 | 1.61A | 20.98 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | ASP E 343ASP E 340PRO F 258GLN F 260 | 1.70A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | ASP B 340ASP B 343ASN E 269ALA E 267 | 1.80A | 20.98 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | GLN D 303PRO D 302TYR B 268GLU D 290 | 1.37A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 6 | ASP B 340ASP B 343ASN B 345ALA E 267 | 1.76A | 20.98 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | ASP A 343ASP A 340PRO B 258GLN B 260 | 1.75A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | GLN D 303PRO D 302TYR B 268GLN D 294 | 1.71A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | ASP F 343ASP F 340PRO E 258GLN E 260 | 1.78A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | ASP D 343ASP D 340PRO C 258GLN C 260 | 1.72A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wji | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 4 / 8 | ASP B 343ASP B 340PRO A 258GLN A 260 | 1.70A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 8 | GLN C6801TYR C6851PRO C6805GLN C6847 | 1.78A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 4 / 8 | GLN A6801TYR A6851PRO A6805GLN A6847 | 1.77A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wkq | NSP16 (SARS-CoV-2) | 4 / 8 | GLN C6801TYR C6851PRO C6805GLN C6847 | 1.77A | None | |||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wlc | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARS-CoV-2) | 4 / 8 | ASP B 301TYR B 194GLN B 197GLU B 211 | 1.79A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6wqd | NSP8 (SARS-CoV-2) | 4 / 6 | ASP B 112ASN B 108ALA B 110ASP B 134 | 1.74A | 19.74 | NoneEDO B 301 (-4.3A)NoneNone | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6wqd | NSP8 (SARS-CoV-2) | 4 / 6 | ASP D 112ASN D 108ALA D 110ASP D 134 | 1.67A | 19.74 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 4 / 8 | PRO A 247PRO A 299GLN A 250GLU A 263 | 1.48A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yhu | REPLICASEPOLYPROTEIN 1A (SARS-CoV-2) | 4 / 6 | ASP B 112ASN B 108ALA B 110ASP B 134 | 1.80A | 19.57 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 6yi3 | NUCLEOPROTEIN (SARS-CoV-2) | 4 / 6 | ASN A 8ALA A 10TYR A 71ASP A 104 | 1.58A | 18.22 | None | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 6yla | LIGHT CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARS-CoV-2) | 4 / 7 | ASP C 66ASP E 364TYR E 365PRO E 527 | 1.78A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | ASP E 442ASN E 354ALA E 352TYR E 351 | 1.73A | 20.49 | NoneDMS E 905 (-4.5A)NoneNone | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yla | LIGHT CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARS-CoV-2) | 4 / 6 | ASP C 66ASP E 364ASN E 388ALA E 363 | 1.72A | 24.03 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yla | LIGHT CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARS-CoV-2) | 4 / 6 | ASP L 66ASP A 364ASN A 388ALA A 363 | 1.57A | 24.03 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6ym0 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | ASP E 442ASN E 354ALA E 352TYR E 351 | 1.75A | 20.49 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | ASP E 442ASN E 354ALA E 352TYR E 351 | 1.73A | 20.08 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 4 / 6 | ASP A 442ASN A 354ALA A 352TYR A 351 | 1.74A | 20.08 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 67ASN A 215ALA A 97TYR A 217 | 1.59A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 126ALA A 130TYR A 129ASP A 208 | 1.66A | 12.58 | None | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 7btf | NSP12NSP7 (SARS-CoV-2) | 4 / 7 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.70A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 221ASN A 39ALA A 43TYR A 728 | 1.71A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 760ASN A 790ALA A 625TYR A 458 | 1.64A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 39ALA A 43TYR A 728ASP A 208 | 1.27A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.79A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 39ALA A 43TYR A 728ASP A 711 | 1.75A | 12.58 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 507ALA A 502TYR A 515ASP A 499 | 1.66A | 12.58 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 7btf | NSP12NSP7 (SARS-CoV-2) | 4 / 8 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.57A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7btf | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 618ASN A 790ALA A 625TYR A 458 | 1.32A | 12.58 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 4 / 6 | ASP A 289ASN A 203ALA A 129ASP A 197 | 1.66A | 21.20 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 4 / 8 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.53A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 126ALA A 130TYR A 129ASP A 208 | 1.66A | 12.85 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 618ASN A 790ALA A 625TYR A 458 | 1.39A | 12.85 | None | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 4 / 7 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.68A | None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.76A | 12.85 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv1 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 507ALA A 502TYR A 515ASP A 499 | 1.67A | 12.85 | None | ||
![]() | 3L2V_A_RLTA397_1 (INTEGRASE) | 7bv2 | NSP12NSP7 (SARS-CoV-2) | 4 / 7 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.61A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 507ALA A 502TYR A 515ASP A 499 | 1.47A | 12.85 | U T 8 ( 3.5A)NoneNoneNone | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 221ASN A 39ALA A 43TYR A 38 | 1.79A | 12.85 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 126ALA A 130TYR A 129ASP A 208 | 1.63A | 12.85 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 8 | PRO A 834TYR A 877GLN A 815GLU A 811 | 1.78A | NoneNone A P 19 ( 4.9A)None | |||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 126ALA A 130TYR A 129ASP A 208 | 1.67A | 12.85 | None | ||
![]() | 3OYA_A_RLTA398_1 (PFV INTEGRASE) | 7bv2 | NSP12NSP7 (SARS-CoV-2) | 4 / 8 | ASP A 445GLN C 18TYR A 546GLN A 408 | 1.42A | None | |||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.75A | 12.85 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 36ALA A 46TYR A 129ASP A 208 | 1.77A | 12.85 | None | ||
![]() | 4MDA_A_RLTA403_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 623ALA A 625TYR A 458ASP A 452 | 1.65A | 12.85 | POP A1003 ( 3.5A)NoneNoneNone | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASN A 39ALA A 43TYR A 728ASP A 208 | 1.42A | 12.85 | None | ||
![]() | 4MDB_A_RLTA401_1 (MARINER MOS1TRANSPOSASE) | 7bv2 | NSP12 (SARS-CoV-2) | 4 / 6 | ASP A 208ASN A 39ALA A 43TYR A 728 | 1.69A | 12.85 | None |