Ligand ID: 29Q Drugbank ID: DB00579(Mazindol) Indication:Used in short-term (a few weeks) treatment of exogenous obesity in conjunction with a regimen of weight reduction based on caloric restriction, exercise, and behavior modification in patients with a body mass index of 30 kg of body weight per height in meters squared (kg/m2) or in patients with a body mass index of 27 kg/m2 in the presence of risk factors such as hypertension, diabetes, or hyperlipidemia. |
DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
---|---|---|---|---|---|---|---|---|---|---|
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR C 84VAL C 12ALA C 69TYR C 72PHE C 57 | 1.56A | 22.24 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR C 84VAL C 12ALA C 69TYR C 72PHE C 57 | 1.63A | 22.24 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 2ghw | ANTI-SCFV ANTIBODY,80RSPIKE GLYCOPROTEIN (Homosapiens;SARSr-CoV) | 5 / 9 | ASP C 480ALA D 166GLY D 200PHE D 203SER D 224 | 1.67A | 14.84 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 2ghw | ANTI-SCFV ANTIBODY,80RSPIKE GLYCOPROTEIN (Homosapiens;SARSr-CoV) | 5 / 9 | ASP C 480ALA D 166GLY D 200PHE D 203SER D 224 | 1.61A | 14.97 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 2jze | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.68A | 16.57 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 2jze | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.66A | 16.57 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 9 | ASP E 282VAL F 162ALA F 160GLY E 243GLY F 169 | 1.79A | 21.01 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 9 | ASP E 282VAL F 162ALA F 160GLY E 243GLY F 169 | 1.72A | 21.18 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 2wct | NSP3 (SARSr-CoV) | 5 / 9 | TYR C 583ASP C 552VAL C 611SER C 585GLY C 609 | 1.72A | 18.70 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 2wct | NSP3 (SARSr-CoV) | 5 / 9 | TYR C 583ASP C 552VAL C 611SER C 585GLY C 609 | 1.69A | 16.57 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 3e9s | NSP3 (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.64A | 22.20 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 3e9s | NSP3 (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.60A | 22.20 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 3f9h | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | ASP A 216ALA B 140GLY A 283PHE A 3GLY A 2 | 1.47A | 20.86 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 3f9h | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 9 | ASP A 216ALA B 140GLY A 283PHE A 3GLY A 2 | 1.59A | 20.83 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 3i6g | HLA, A-2 (Homosapiens) | 5 / 9 | ASP D 183ALA D 205GLY D 239PHE D 241SER D 207 | 1.73A | 17.36 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 3i6g | HLA, A-2 (Homosapiens) | 5 / 9 | ASP D 183ALA D 205GLY D 239PHE D 241SER D 207 | 1.76A | 18.01 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 3mj5 | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.58A | 22.20 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 4m0w | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.64A | 21.83 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 4m0w | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.59A | 21.87 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 4ovz | PAPAIN-LIKEPROTEINASE (SARS-COVUrbani) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.66A | 22.20 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 5e6j | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR D 84VAL D 12ALA D 69TYR D 72PHE D 57 | 1.57A | 22.20 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 5e6j | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR D 84VAL D 12ALA D 69TYR D 72PHE D 57 | 1.61A | 22.16 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 5tl6 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR D 84VAL D 12ALA D 69TYR D 72PHE D 57 | 1.52A | 22.08 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 5tl6 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 9 | TYR D 84VAL D 12ALA D 69TYR D 72PHE D 57 | 1.45A | 22.08 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 5x5c | S PROTEIN (MERS-CoV) | 5 / 9 | VAL C 374ALA C 597GLY C 615PHE C 617GLY C 372 | 1.57A | 17.61 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 5x5c | S PROTEIN (MERS-CoV) | 5 / 9 | VAL C 374ALA C 597GLY C 615PHE C 617GLY C 372 | 1.62A | 17.67 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 9 | ASP C 961VAL A 369ALA A 371GLY A 531SER C 964 | 1.79A | 17.24 | ASP C 961 ( 0.5A)VAL A 369 ( 0.6A)ALA A 371 ( 0.0A)GLY A 531 ( 0.0A)SER C 964 ( 0.0A) | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 5y3e | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.58A | 22.30 | NoneNoneNone NA A 405 (-4.9A)None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 5y3q | REPLICASEPOLYPROTEIN 1A (SARSr-CoV) | 5 / 9 | TYR A 84VAL A 12ALA A 69TYR A 72PHE A 57 | 1.62A | 22.26 | NoneNoneNone NA A 406 (-4.9A)None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6acd | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 9 | TYR A 660VAL A 642ALA A 676TYR A 677SER A 659 | 1.31A | 17.24 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 9 | TYR A 660VAL A 642ALA A 676TYR A 677SER A 659 | 1.26A | 17.14 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 9 | ASP B 351ALA B 371GLY B 326PHE B 329SER B 353 | 1.52A | 17.32 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6crx | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 9 | ASP B 351ALA B 371GLY B 326PHE B 329SER B 353 | 1.54A | 17.42 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6m18 | SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 9 | VAL A 125TYR A 129PHE A 283SER A 431GLY A 434 | 1.60A | 26.79 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6m1d | ACE2 (Homosapiens) | 5 / 9 | ASP D 509VAL D 184TYR D 183GLY D 200PHE D 464 | 1.74A | 20.92 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6m1d | ACE2 (Homosapiens) | 5 / 9 | ASP D 509VAL D 184TYR D 183GLY D 200PHE D 464 | 1.76A | 21.02 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.42A | 20.25 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 42ALA A 43PHE A 48SER A 709GLY A 44 | 1.54A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 880ALA A 878TYR A 877PHE A 428SER A 434 | 1.75A | 20.17 | None | ||
![]() | 4MMF_B_29QB603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.45A | 20.25 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.51A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 96ALA A 97TYR A 217GLY A 220PHE A 219 | 1.62A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 6m71 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.48A | 20.17 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 9 | ASP A 376VAL A 314GLY A 512PHE A 316GLY A 531 | 1.53A | 16.91 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 9 | ASP A 376VAL A 314GLY A 512PHE A 316GLY A 531 | 1.52A | 17.02 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6nur | NSP12 (SARSr-CoV) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.51A | 20.42 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6nur | NSP12 (SARSr-CoV) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.39A | 20.44 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP B 53VAL B 36ALA B 222TYR B 37PHE B 275 | 1.40A | 18.42 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6vsb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP B 53VAL B 36ALA B 222TYR B 37PHE B 275 | 1.46A | 18.87 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP B 53VAL B 36ALA B 222TYR B 37PHE B 275 | 1.51A | 18.43 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6vxx | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP B 53VAL B 36ALA B 222TYR B 37PHE B 275 | 1.41A | 18.41 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP C 53VAL C 36ALA C 222TYR C 37PHE C 275 | 1.38A | 18.41 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6vyb | SPIKE GLYCOPROTEIN (SARS-CoV-2) | 5 / 9 | ASP C 53VAL C 36ALA C 222TYR C 37PHE C 275 | 1.46A | 18.43 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 9 | ASP C 81ALA B 173TYR B 172GLY B 60SER C 79 | 1.75A | 12.08 | NoneNoneNoneNone ZN C 201 (-3.5A) | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 6wkp | NUCLEOCAPSID PROTEIN (SARS-CoV-2) | 5 / 9 | ASP C 81ALA B 173TYR B 172GLY B 60SER C 79 | 1.79A | 13.36 | NoneNoneNoneNone ZN C 201 (-3.5A) | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 96ALA A 97TYR A 217GLY A 220PHE A 219 | 1.64A | 20.17 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.54A | 20.17 | None | ||
![]() | 4MMF_B_29QB603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.52A | 20.25 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.52A | 20.17 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.48A | 20.25 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7btf | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 42ALA A 43PHE A 48SER A 709GLY A 44 | 1.44A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 880ALA A 878TYR A 877PHE A 428SER A 434 | 1.78A | 20.04 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 9 | ASP C 5VAL A 424ALA A 423TYR A 420SER C 4 | 1.61A | 10.39 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 9 | ASP C 5VAL A 424ALA A 423TYR A 420SER C 4 | 1.68A | 10.39 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 9 | ASP C 5VAL A 424ALA A 423TYR A 420SER C 4 | 1.63A | 10.39 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.49A | 20.04 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.41A | 20.17 | None | ||
![]() | 4MMF_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12NSP7 (SARS-CoV-2) | 5 / 9 | ASP C 5VAL A 424ALA A 423TYR A 420SER C 4 | 1.67A | 10.39 | None | ||
![]() | 4MMF_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.45A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 42ALA A 43PHE A 48SER A 709GLY A 44 | 1.51A | 20.04 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv1 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.46A | 20.04 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.54A | 20.04 | None | ||
![]() | 4MMF_A_29QA603_1 (TRANSPORTER) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.49A | 20.17 | None | ||
![]() | 4MMF_B_29QB603_1 (TRANSPORTER) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.54A | 20.17 | None | ||
![]() | 4MME_B_29QB603_1 (TRANSPORTER) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 9 | VAL A 42ALA A 43PHE A 48SER A 709GLY A 44 | 1.48A | 20.04 | None | ||
![]() | 4MME_A_29QA603_1 (TRANSPORTER) | 7bv2 | NSP12 (SARS-CoV-2) | 5 / 9 | ASP A 717VAL A 776ALA A 771TYR A 770GLY A 774 | 1.57A | 20.04 | None |