Ligand ID: TRU Drugbank ID: DB01021(Trichlormethiazide) Indication:Used in the treatment of oedema (including that associated with heart failure) and hypertension. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.73A | 21.51 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.68A | 21.51 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 268THR A 201 | 1.79A | 21.51 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 5rfc | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | GLN A 244VAL A 247LEU A 262THR A 225THR A 226 | 1.73A | 21.51 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.61A | 23.05 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6lze | VIRAL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.72A | 23.05 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.62A | 22.82 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m0k | VIRAL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.72A | 22.82 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN C 231HIS C 246VAL C 247LEU C 205THR C 201 | 1.58A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.74A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN C 231HIS C 246VAL C 261LEU C 205THR C 201 | 1.72A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | GLN D 244VAL D 247LEU D 262THR D 225THR D 226 | 1.76A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | GLN C 244VAL C 247LEU C 262THR C 225THR C 226 | 1.67A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.60A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN B 231HIS B 246VAL B 247LEU B 205THR B 201 | 1.63A | 22.99 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 3 / 3 | ILE B 152SER D 123SER D 121 | 1.77A | 22.05 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN B 231HIS B 246VAL B 261LEU B 205THR B 201 | 1.76A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2n | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN D 231HIS D 246VAL D 247LEU D 205THR D 201 | 1.65A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2q | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.70A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6m2q | 3CL PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.73A | 22.99 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6m71 | NSP12 (SARS-CoV-2) | 3 / 3 | ILE A 450SER A 672SER A 397 | 1.75A | 14.89 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6m71 | NSP7 (SARS-CoV-2) | 3 / 3 | ILE C 68SER C 61SER C 57 | 1.40A | 15.16 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASN B 317GLN B 314LEU C 861THR C 734THR C 859 | 1.42A | 11.12 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | ASN B 317GLN B 314LEU C 861THR C 734THR C 859 | 1.52A | 11.62 | None | ||
![]() | 3ILT_B_TRUB800_1 (GLUTAMATE RECEPTOR 2) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 12 | LEU C1049LYS C1028ILE C 909SER C1037LYS C1038 | 1.69A | 12.62 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 3 / 3 | ILE C 670SER C 659SER C 698 | 1.11A | 12.62 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6w63 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.65A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6w63 | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.76A | 22.99 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6w75 | NSP16 (SARS-CoV-2) | 3 / 3 | ILE C6910SER C6903SER C6907 | 1.72A | 20.46 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6w75 | NSP16 (SARS-CoV-2) | 3 / 3 | ILE A7035SER A6998SER A6831 | 1.60A | 20.46 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6w75 | NSP16 (SARS-CoV-2) | 3 / 3 | ILE C7035SER C6998SER C6831 | 1.53A | 20.46 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6w75 | NSP16 (SARS-CoV-2) | 3 / 3 | ILE C7088SER C7090SER A7089 | 1.63A | 20.46 | None NA C7104 ( 2.5A)None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 3 / 3 | ILE C7088SER C7090SER A7089 | 1.59A | 20.13 | NoneFMT C7107 (-2.7A)None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 3 / 3 | ILE A7035SER A6998SER A6831 | 1.61A | 20.13 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6wjt | 2'-O-METHYLTRANSFERASE (SARS-CoV-2) | 3 / 3 | ILE C6910SER C6903SER C6907 | 1.74A | 20.13 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6wkq | NSP16 (SARS-CoV-2) | 3 / 3 | ILE C7088SER C7090SER A7089 | 1.60A | 20.13 | None NA C7102 ( 2.7A)None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6wkq | NSP16 (SARS-CoV-2) | 3 / 3 | ILE C6910SER C6903SER C6907 | 1.73A | 20.13 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.61A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6wnp | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.72A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 159HIS D 119VAL D 34VAL D 36THR D 149 | 1.75A | 21.77 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6woj | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN C 159HIS B 119VAL B 34VAL B 36THR B 149 | 1.75A | 21.77 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6wqf | 3C-LIKE PROTEINASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.72A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6wrh | PEPTIDASE C16 (SARS-CoV-2) | 5 / 12 | GLN A 30HIS A 50VAL A 21VAL A 7THR A 34 | 1.69A | 19.77 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6y2g | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN B 231HIS B 246VAL B 247LEU B 205THR B 201 | 1.59A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.74A | 21.89 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.70A | 21.89 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6yb7 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 244VAL A 247LEU A 262THR A 225THR A 226 | 1.75A | 21.89 | None | ||
![]() | 3ILT_B_TRUB800_1 (GLUTAMATE RECEPTOR 2) | 6yhu | REPLICASEPOLYPROTEIN 1A (SARS-CoV-2) | 5 / 12 | MET A 62SER A 61LEU A 71LEU A 59SER A 57 | 1.67A | 13.39 | None | ||
![]() | 3ILT_E_TRUE800_1 (GLUTAMATE RECEPTOR 2) | 6yhu | REPLICASEPOLYPROTEIN 1A (SARS-CoV-2) | 5 / 10 | SER A 57MET A 62SER A 61LEU A 71LEU A 59 | 1.66A | 13.39 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6yla | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 3 / 3 | ILE E 434SER E 373SER E 375 | 1.78A | 19.35 | NoneDMS E 901 (-3.2A)None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.75A | 22.69 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6ynq | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | GLN A 244VAL A 247LEU A 262THR A 225THR A 226 | 1.74A | 22.69 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 3 / 3 | ILE E 434SER E 373SER E 375 | 1.79A | 22.18 | None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6yor | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 3 / 3 | ILE A 434SER A 373SER A 375 | 1.78A | 22.18 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.77A | 22.69 | NonePEG A 405 (-3.2A)NoneNoneNone | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 6yt8 | REPLICASEPOLYPROTEIN 1AB (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.70A | 22.69 | NonePEG A 405 (-3.2A)NoneNoneNone | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6ywl | NSP3 MACRODOMAIN (SARS-CoV-2) | 3 / 3 | ILE A 106SER A 128SER A 139 | 1.26A | 20.08 | EDO A 204 ( 4.0A)APR A 201 (-4.4A)None | ||
![]() | 3ILT_H_TRUH800_1 (GLUTAMATE RECEPTOR 2) | 6ywm | NSP3 MACRODOMAIN (SARS-CoV-2) | 3 / 3 | ILE A 106SER A 128SER A 139 | 1.31A | 20.08 | EDO A 205 ( 4.3A)MES A 201 (-4.4A)None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.57A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7bqy | MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.73A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7btf | NSP12NSP8 (SARS-CoV-2) | 5 / 12 | ASN B 118VAL A 330VAL A 341THR B 124THR B 123 | 1.71A | 20.96 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 261LEU A 205THR A 201 | 1.75A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | ASN A 231HIS A 246VAL A 247LEU A 205THR A 201 | 1.64A | 22.99 | None | ||
![]() | 1ZGF_A_TRUA300_1 (CARBONIC ANHYDRASEII) | 7buy | VIRUS MAIN PROTEASE (SARS-CoV-2) | 5 / 12 | GLN A 244VAL A 247VAL A 261THR A 225THR A 226 | 1.62A | 22.99 | None | ||
![]() | 3ILT_E_TRUE800_1 (GLUTAMATE RECEPTOR 2) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 10 | PRO A 412SER C 15LEU C 40SER C 10LEU C 55 | 1.74A | 14.87 | None | ||
![]() | 3ILT_B_TRUB800_1 (GLUTAMATE RECEPTOR 2) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 12 | PRO A 412SER C 15LEU C 40SER C 10LEU C 55 | 1.72A | 14.87 | None | ||
![]() | 3ILT_B_TRUB800_1 (GLUTAMATE RECEPTOR 2) | 7bv1 | NSP7NSP8 (SARS-CoV-2) | 5 / 12 | SER C 61LEU D 95LEU C 55ILE D 107SER C 57 | 1.77A | 15.79 | None | ||
![]() | 3ILT_E_TRUE800_1 (GLUTAMATE RECEPTOR 2) | 7bv1 | NSP7NSP8 (SARS-CoV-2) | 5 / 10 | ILE D 107SER C 57SER C 61LEU D 95LEU C 55 | 1.75A | 18.87 | None |