Ligand ID: CIO Drugbank ID: DB03849(Cilomilast) Indication:Investigated for use/treatment in chronic obstructive pulmonary disease (COPD). |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.64A | 18.38 | None | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | LEU D 959ILE F1169PHE F 970SER D 968GLN D 965 | 1.42A | 17.10 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | LEU F 966ASN D 969ILE F 973SER E 974PHE E 970 | 1.67A | 20.27 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6lxt | SPIKE PROTEIN S2 (SARS-CoV-2) | 5 / 12 | LEU D 959ILE F1169PHE F 970SER D 968GLN D 965 | 1.37A | 17.10 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.77A | 21.71 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS D 164MET D 82LEU D 58THR D 21PHE D 66 | 1.70A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS B 164MET B 82LEU B 58THR B 21PHE B 66 | 1.74A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.77A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS C 164MET C 82LEU C 58THR C 21PHE C 66 | 1.70A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m2q | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.65A | 21.84 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6m3m | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS C 60LEU C 57THR B 166ILE A 95GLN B 71 | 1.48A | 16.03 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m3m | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS C 60LEU C 57THR B 166ILE A 95GLN B 71 | 1.50A | 16.12 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6m71 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87THR A 540ILE A 539SER A 501 | 1.68A | 17.87 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6m71 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 87THR A 540ILE A 539PHE A 504PHE A 506 | 1.65A | 20.34 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 12 | HIS A 309LEU A 351ASN A 297SER A 649PHE A 652 | 1.63A | 17.44 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6m71 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87THR A 540ILE A 539SER A 501 | 1.73A | 17.44 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | HIS C1048LEU C 916THR C 719ILE C 720GLN C 926 | 1.67A | 14.71 | NoneNoneNoneNoneNAG C1309 ( 4.5A) | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR B1047ILE B 909PHE B 906MET B 902GLN B1036 | 1.68A | 14.52 | None | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR C1047ILE C 909PHE C 906MET C 902GLN C1036 | 1.72A | 14.52 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR A1047ILE A 909PHE A 906MET A 902GLN A1036 | 1.65A | 14.41 | None | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR A1047ILE A 909PHE A 906MET A 902GLN A1036 | 1.69A | 14.41 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | HIS A1048LEU A 916THR A 719ILE A 720GLN A 926 | 1.53A | 13.65 | NoneNoneNoneNoneNAG A1312 ( 4.9A) | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR A1047ILE A 909PHE A 906MET A 902GLN A1036 | 1.73A | 14.41 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | TYR C1047ILE C 909PHE C 906MET C 902GLN C1036 | 1.67A | 14.41 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6vyo | NUCLEOPROTEIN (SARS-CoV-2) | 5 / 12 | HIS B 145HIS A 59LEU B 113THR B 148ILE B 146 | 1.63A | 16.17 | ZN B 201 ( 3.3A) ZN B 201 ( 3.3A)NoneNone ZN A 202 ( 4.8A) | ||
![]() | 1XLX_B_CIOB102_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6vyo | NUCLEOPROTEIN (SARS-CoV-2) | 5 / 12 | HIS D 59THR A 115ILE A 146SER A 51PHE A 110 | 1.64A | 16.17 | ZN A 204 ( 3.1A)NoneMES A 201 ( 4.5A)NoneNone | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6w63 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.71A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS C 145HIS B 59LEU C 113THR C 148ILE C 146 | 1.61A | 14.59 | ZN C 201 (-3.4A) ZN C 201 (-3.3A)NoneNoneNone | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS D 145HIS C 59THR D 148ILE D 146PHE D 110 | 1.67A | 14.59 | ZN D 202 (-3.4A) ZN D 202 (-3.2A)NoneMES D 201 ( 4.4A)None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS D 145HIS C 59LEU D 113THR D 148ILE D 146 | 1.55A | 14.59 | ZN D 202 (-3.4A) ZN D 202 (-3.2A)NoneNoneMES D 201 ( 4.4A) | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS B 145HIS A 59LEU B 113THR B 148ILE B 146 | 1.69A | 14.59 | ZN B 202 (-3.3A) ZN B 202 (-2.6A)NoneNoneMES B 201 ( 4.6A) | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 12 | HIS D 145HIS C 59LEU D 113ILE D 146SER D 51 | 1.74A | 14.59 | ZN D 202 (-3.4A) ZN D 202 (-3.2A)NoneMES D 201 ( 4.4A)None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.74A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6wqf | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.73A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6y84 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.63A | 21.84 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.64A | 18.38 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.66A | 22.03 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.72A | 22.03 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.69A | 21.84 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87LEU A 372ILE A 539SER A 501 | 1.62A | 17.87 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 87ILE A 539PHE A 504SER A 501PHE A 506 | 1.64A | 20.34 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 87LEU A 372ILE A 539SER A 501PHE A 506 | 1.71A | 20.34 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87LEU A 372ILE A 539SER A 501 | 1.52A | 17.44 | None | ||
![]() | 1XLX_B_CIOB102_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 90THR A 538ILE A 539PHE A 504PHE A 506 | 1.71A | 20.63 | None | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 87LEU A 372ILE A 539SER A 501PHE A 506 | 1.71A | 20.34 | None | ||
![]() | 1XOM_A_CIOA603_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87LEU A 372ILE A 539SER A 501 | 1.59A | 17.87 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 87LEU A 372ILE A 539SER A 501PHE A 506 | 1.73A | 20.63 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | HIS A 164MET A 82LEU A 58THR A 21PHE A 66 | 1.75A | 21.84 | None | ||
![]() | 1XLX_B_CIOB102_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7bv1 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 90THR A 538ILE A 539PHE A 504PHE A 506 | 1.63A | 19.15 | None | ||
![]() | 1XLX_A_CIOA101_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7bv1 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87THR A 540ILE A 539SER A 501 | 1.70A | 17.70 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7bv1 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87THR A 540ILE A 539SER A 501 | 1.69A | 18.03 | None | ||
![]() | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | HIS A 381MET B 87LEU A 372THR A 540SER A 501 | 1.56A | 18.03 | NoneNoneNoneNone U T 9 ( 2.7A) | ||
![]() | 1XLX_B_CIOB102_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4B) | 7bv2 | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | MET B 90THR A 538ILE A 539PHE A 504PHE A 506 | 1.72A | 19.15 | None |