Ligand ID: H3P Drugbank ID: DB00756(Hexachlorophene) Indication:For use as a surgical scrub and a bacteriostatic skin cleanser. It may also be used to control an outbreak of gram-positive infection where other infection control procedures have been unsuccessful. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 1q2w | 3C-LIKE PROTEASE (SARSr-CoV) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.50A | 19.54 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2a5k | 3C-LIKE PEPTIDASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.45A | 19.92 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2acf | REPLICASEPOLYPROTEIN 1AB (SARS-COVTor2) | 3 / 3 | TYR A 350TYR A 343ILE A 200 | 1.40A | 18.04 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2ajf | SPIKE PROTEIN (SARSr-CoV) | 3 / 3 | TYR E 367TYR E 410ILE E 397 | 1.66A | 16.17 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2alv | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.50A | 19.34 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2amq | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.45A | 19.73 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2dd8 | IGG HEAVY CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARSr-CoV) | 3 / 3 | TYR S 491TYR H 59ILE H 69 | 1.59A | 17.08 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2dd8 | IGG HEAVY CHAINSPIKE GLYCOPROTEIN (Homosapiens;SARSr-CoV) | 3 / 3 | TYR H 59TYR S 491ILE H 56 | 1.49A | 17.86 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2fav | REPLICASEPOLYPROTEIN 1AB(PP1AB) (ORF1AB) (SARSr) | 3 / 3 | TYR A 169TYR A 162ILE A 19 | 1.47A | 16.83 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2fav | REPLICASEPOLYPROTEIN 1AB(PP1AB) (ORF1AB) (SARSr) | 3 / 3 | TYR C 169TYR C 162ILE C 19 | 1.43A | 16.83 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 2fav | REPLICASEPOLYPROTEIN 1AB(PP1AB) (ORF1AB) (SARSr) | 3 / 3 | TYR B 169TYR B 162ILE B 19 | 1.46A | 16.83 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2op9 | REPLICASEPOLYPROTEIN 1AB(PP1AB, ORF1AB)3C-LIKE PROTEINASE(3CL-PRO, 3CLP) (SARSr-CoV) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.50A | 19.10 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 2ozk | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 4 / 7 | MET B 218ILE B 222LYS B 307ILE B 235 | 1.70A | 22.03 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2q6g | REPLICASEPOLYPROTEIN 1AB (SARS-COVBJ01) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.45A | 19.73 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 2z9l | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.43A | 19.73 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3aw0 | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.45A | 19.92 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 3d0h | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 7 | MET B 557LYS B 553HIS B 378ILE B 407 | 1.12A | 20.42 | NoneNone ZN B 901 (-3.8A)None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 3d0h | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 6 | ILE B 407MET B 557LYS B 553HIS B 378 | 1.12A | 20.42 | NoneNoneNone ZN B 901 (-3.8A) | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 3d0h | SPIKE GLYCOPROTEIN (SARSr-CoV) | 3 / 3 | TYR E 367TYR E 410ILE E 397 | 1.61A | 16.17 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3d62 | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.48A | 19.21 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3ea7 | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.45A | 19.92 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3eaj | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.46A | 19.92 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3fzd | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.49A | 18.91 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3m3s | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.49A | 19.54 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3m3v | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.49A | 19.92 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 3scj | ACE2 (Homosapiens) | 4 / 7 | MET B 557LYS B 553HIS B 378ILE B 407 | 1.28A | 20.93 | NoneNone ZN B 901 (-3.5A)None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 3scj | ACE2 (Homosapiens) | 4 / 6 | ILE B 407MET B 557LYS B 553HIS B 378 | 1.28A | 20.93 | NoneNoneNone ZN B 901 (-3.5A) | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 7 | MET B 557LYS B 553HIS B 378ILE B 407 | 1.33A | 20.70 | NoneNone ZN B 901 (-4.1A)None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 4 / 6 | ILE B 407MET B 557LYS B 553HIS B 378 | 1.33A | 20.70 | NoneNoneNone ZN B 901 (-4.1A) | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 3sna | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.42A | 18.91 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 4hi3 | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.48A | 19.73 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 4mds | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.47A | 19.26 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 5b6o | 3C-LIKE PROTEINASE (SARSr-CoV) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.49A | 19.54 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5c8s | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 4 / 7 | ILE D 338HIS D 314LYS B 362ILE B 363 | 1.77A | 23.51 | G3A D 606 (-3.5A)NoneNoneNone | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5c8u | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 4 / 7 | ILE D 338HIS D 314LYS B 362ILE B 363 | 1.70A | 23.22 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 5e6j | POLYUBIQUITIN-BREPLICASEPOLYPROTEIN 1AB (SARSr-CoV;syntheticconstruct) | 4 / 6 | ILE C 3LYS C 29ILE C 13HIS D 18 | 1.51A | 10.91 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5e6j | POLYUBIQUITIN-BREPLICASEPOLYPROTEIN 1AB (SARSr-CoV;syntheticconstruct) | 4 / 7 | LYS C 29ILE C 13HIS D 18ILE C 3 | 1.52A | 10.91 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 5wrg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ILE B 656TYR B 646LYS B 675ILE B 650 | 1.67A | 18.21 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5wrg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LYS B 675ILE B 650ILE B 656TYR B 646 | 1.68A | 18.21 | None | ||
![]() | 3ETE_C_H3PC554_1 (GLUTAMATEDEHYDROGENASE) | 5x4r | S PROTEIN (MERS-CoV) | 4 / 5 | ILE A 256MET A 278ILE A 57HIS A 264 | 1.73A | 19.92 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5x4r | S PROTEIN (MERS-CoV) | 4 / 7 | MET A 278ILE A 57HIS A 264ILE A 256 | 1.74A | 19.92 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 5x4s | SPIKE GLYCOPROTEIN (SARSr-CoV) | 3 / 3 | TYR A 41TYR A 266ILE A 272 | 1.20A | 18.82 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 4 / 6 | ILE C 650TYR C 598ILE C 674HIS C 661 | 1.80A | 18.76 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 5x5b | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 3 / 3 | TYR B 41TYR B 266ILE B 272 | 1.23A | 18.76 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 5x5c | S PROTEIN (MERS-CoV) | 3 / 3 | TYR B 541TYR B 397ILE B 500 | 1.62A | 15.29 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 5x5f | S PROTEIN (MERS-CoV) | 4 / 6 | ILE B 256MET B 278ILE B 57HIS B 264 | 1.67A | 15.29 | None | ||
![]() | 3ETE_C_H3PC554_1 (GLUTAMATEDEHYDROGENASE) | 5x5f | S PROTEIN (MERS-CoV) | 4 / 5 | ILE B 256MET B 278ILE B 57HIS B 264 | 1.66A | 15.29 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 5x5f | S PROTEIN (MERS-CoV) | 4 / 7 | MET B 278ILE B 57HIS B 264ILE B 256 | 1.66A | 15.29 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 3 / 3 | TYR B 622TYR B 598ILE B 637 | 1.09A | 18.21 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LYS A 911ILE A 916HIS A1046ILE A 702 | 1.54A | 18.21 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ILE A 702LYS A 911ILE A 916HIS A1046 | 1.54A | 18.21 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 6 | ILE B 702LYS B 911ILE B 704HIS B1046 | 1.71A | 18.11 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 3 / 3 | TYR A 41TYR A 266ILE A 272 | 1.38A | 18.11 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 4 / 7 | LYS B 911ILE B 704HIS B1046ILE B 702 | 1.71A | 18.11 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6cs2 | ACE2 (Homosapiens) | 4 / 7 | MET D 557LYS D 553HIS D 378ILE D 407 | 1.37A | 21.34 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6cs2 | ACE2 (Homosapiens) | 4 / 6 | ILE D 407MET D 557LYS D 553HIS D 378 | 1.39A | 21.34 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6jyt | HELICASE (SARSr-CoV) | 4 / 7 | MET A 429ILE A 376LYS A 288TYR A 277 | 1.73A | 22.48 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6kl2 | NUCLEOPROTEIN (MERS-CoV) | 4 / 7 | LYS D 40HIS B 37LYS B 37TYR D 101 | 1.49A | 13.47 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6m18 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 3 / 3 | TYR C 177TYR C 480ILE C 562 | 1.16A | 19.76 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6m1d | ACE2 (Homosapiens) | 4 / 6 | ILE D 259MET D 249ILE D 256HIS D 241 | 1.39A | 21.10 | None | ||
![]() | 3ETE_C_H3PC554_1 (GLUTAMATEDEHYDROGENASE) | 6m1d | ACE2 (Homosapiens) | 4 / 5 | ILE D 259MET D 249ILE D 256HIS D 241 | 1.39A | 21.10 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6m1d | ACE2 (Homosapiens) | 4 / 7 | MET D 249ILE D 256HIS D 241ILE D 259 | 1.38A | 21.10 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 3 / 3 | TYR C 41TYR C 266ILE C 272 | 1.28A | 18.14 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6nb7 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 6 | ILE B 702LYS B 911ILE B 704HIS B1030 | 1.75A | 18.14 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6nb7 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 4 / 7 | LYS B 911ILE B 704HIS B1030ILE B 702 | 1.74A | 18.14 | None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6nus | NSP12 (SARSr-CoV) | 3 / 3 | TYR A 374TYR A 530ILE A 536 | 1.77A | 20.04 | None | ||
![]() | 3ETE_F_H3PF552_1 (GLUTAMATEDEHYDROGENASE) | 6vw1 | ACE2 (Homosapiens) | 4 / 7 | MET B 557LYS B 553HIS B 378ILE B 407 | 1.35A | 20.65 | NoneNone ZN B 703 ( 4.6A)None | ||
![]() | 3ETE_B_H3PB552_1 (GLUTAMATEDEHYDROGENASE) | 6vw1 | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 3 / 3 | TYR E 380TYR E 423ILE E 410 | 1.58A | 16.22 | None | ||
![]() | 3ETE_A_H3PA552_1 (GLUTAMATEDEHYDROGENASE) | 6vw1 | ACE2 (Homosapiens) | 4 / 6 | ILE B 407MET B 557LYS B 553HIS B 378 | 1.34A | 20.65 | NoneNoneNone ZN B 703 ( 4.6A) | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6w41 | CR3022 FAB HEAVYCHAINCR3022 FAB LIGHTCHAIN (Homosapiens) | 3 / 3 | TYR L 87TYR H 91GLY H 44 | 0.99A | 15.64 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6xhn | 3C-LIKE PROTEINASE (SARSr) | 3 / 3 | TYR B 126TYR B 161GLY B 138 | 0.49A | 19.73 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6xhn | 3C-LIKE PROTEINASE (SARSr) | 3 / 3 | TYR A 126TYR A 161GLY A 138 | 0.51A | 19.73 | None | ||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 3 / 3 | TYR L 93TYR H 95GLY H 44 | 0.97A | NoneNone1PE L1603 ( 4.3A) | |||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6yla | HEAVY CHAINLIGHT CHAIN (Homosapiens) | 3 / 3 | TYR C 93TYR B 95GLY B 44 | 0.96A | NoneNone1PE C 301 ( 4.4A) | |||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 3 / 3 | TYR L 93TYR H 95GLY H 44 | 0.96A | None | |||
![]() | 3ETE_C_H3PC552_1 (GLUTAMATEDEHYDROGENASE) | 6yor | IGG H CHAINIGG L CHAIN (Homosapiens) | 3 / 3 | TYR C 93TYR B 95GLY B 44 | 0.97A | None |