 |
| Ligand ID: 08Y Drugbank ID: DB01200(Bromocriptine) Indication:For the treatment of galactorrhea due to hyperprolactinemia, prolactin-dependent menstrual disorders and infertility, prolactin-secreting adenomas, prolactin-dependent male hypogonadism, as adjunct therapy to surgery or radiotherapy for acromegaly or as monotherapy is special cases, as monotherapy in early Parksinsonian Syndrome or as an adjunct with levodopa in advanced cases with motor complications. Bromocriptine has also been used off-label to treat restless legs syndrome and neuroleptic malignant syndrome. |
| DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
|---|---|---|---|---|---|---|---|---|---|---|
 Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 1uk3 | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289PHE A 3PHE A 291ALA B 116ALA A 7 | 1.43A | 21.91 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 1z1j | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ILE B1249THR B1199ALA B1255THR B1257ALA B1260 | 1.65A | 22.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2duc | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 12 | PHE A 8ARG A 4SER B 139THR A 292ALA B 116 | 1.48A | 22.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2fe8 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 12 | ARG C 141THR C 278PHE C 148ALA C 136ALA C 142 | 1.64A | 20.28 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 2h85 | PUTATIVE ORF1ABPOLYPROTEIN (SARSr-CoV) | 5 / 12 | SER A 97ILE A 107THR A 48ALA A 54GLU A 56 | 1.43A | 21.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2h85 | PUTATIVE ORF1ABPOLYPROTEIN (SARSr-CoV) | 5 / 12 | PHE A 302PHE A 329THR A 340ALA A 325THR A 192 | 1.59A | 20.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 2jw8 | NUCLEOCAPSID PROTEIN (SARSr-CoV) | 5 / 12 | PHE A 316ILE B 321ALA A 337THR B 283ALA A 314 | 1.30A | 15.70 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2jw8 | NUCLEOCAPSID PROTEIN (SARSr-CoV) | 5 / 12 | PHE A 316ILE B 321ALA A 337THR B 283ALA A 314 | 1.35A | 15.94 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2ofz | NUCLEOCAPSID PROTEIN (SARS-COVTor2) | 5 / 12 | PHE A 54ILE A -3PHE A 111THR A 116THR A 166 | 1.60A | 13.96 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 2ofz | NUCLEOCAPSID PROTEIN (SARS-COVTor2) | 3 / 3 | ARG A 93ARG A 94ARG A 90 | 1.51A | 13.55 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 2ozk | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | SER A 97ILE A 107THR A 48ALA A 54GLU A 56 | 1.39A | 21.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2qc2 | 3C-LIKE PROTEINASE (-) | 6 / 12 | ASP A 289ARG A 4SER B 139PHE A 291ALA B 116ALA A 7 | 1.78A | 21.98 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | PHE E 302PHE E 329THR E 340ALA E 325THR E 192 | 1.60A | 20.77 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 2rhb | URIDYLATE-SPECIFICENDORIBONUCLEASE (SARSr-CoV) | 5 / 12 | SER B 97ILE B 107THR B 48ALA B 54GLU B 56 | 1.36A | 21.54 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 3ebn | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 3 / 3 | ARG C 222ARG A 222ARG C 217 | 1.35A | 15.36 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 3i6k | HLA, A-2 (Homosapiens) | 3 / 3 | ARG A 75ARG A 82ARG A 14 | 1.45A | 21.86 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 3m3t | 3C-LIKE PROTEINASE (SARSr-CoV) | 5 / 12 | ASP A 289PHE A 140SER A 144THR A 175ALA A 173 | 1.33A | 21.77 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 4rna | PAPAIN-LIKE PROTEASE (Humanbetacoronavirus2cEMC/2012) | 3 / 3 | ARG A 234ARG A 232ARG A 188 | 1.76A | 22.31 | PO4 A 403 (-3.1A)NoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 5c8t | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 3 / 3 | ARG B 52ARG B 135ARG B 98 | 1.48A | 24.16 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5c8u | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | PHE D 431ASP D 402ILE D 397ALA D 394ALA D 435 | 1.58A | 23.80 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5tl6 | REPLICASEPOLYPROTEIN 1AB (SARSr-CoV) | 5 / 12 | ARG D 141THR D 278PHE D 148ALA D 136ALA D 142 | 1.58A | 20.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 5x4r | S PROTEIN (MERS-CoV) | 5 / 12 | PHE A 112ILE A 290PHE A 116ALA A 182ALA A 146 | 1.45A | 20.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5x4s | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | PHE A 138THR A 121ALA A 249THR A 71ALA A 237 | 1.51A | 20.16 | NoneNAG A 602 (-3.1A)NoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5x58 | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 5 / 12 | ASP C 407ARG C 441SER C 456ILE C 455THR A 229 | 1.40A | 17.80 | NoneNoneNoneNoneNAG A1310 ( 3.9A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 5x58 | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 5 / 12 | PHE C 909SER C 785ILE C 913PHE C 880THR C 773 | 1.42A | 17.98 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5x59 | S PROTEIN (MERS-CoV) | 5 / 12 | ASP A 343ILE B 831THR A 693ALA B1037ALA B 926 | 1.58A | 16.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 5x5c | S PROTEIN (MERS-CoV) | 5 / 12 | PHE B1172ILE B 782THR B1175ALA C 962ALA B1166 | 1.38A | 17.03 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | PHE A 305ASP C 719ILE A 299THR C 841ALA A 595 | 1.49A | 17.63 | PHE A 305 ( 1.3A)ASP C 719 ( 0.6A)ILE A 299 ( 0.7A)THR C 841 ( 0.8A)ALA A 595 ( 0.0A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 5xlr | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | PHE C 305ASP B 719ILE C 299THR B 841ALA C 595 | 1.43A | 17.73 | PHE C 305 ( 1.3A)ASP B 719 ( 0.6A)ILE C 299 ( 0.7A)THR B 841 ( 0.8A)ALA C 595 ( 0.0A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6acg | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | PHE A1103ILE C 905ALA C 881ALA A1062GLU C 900 | 1.27A | 17.65 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6acj | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | PHE A 361ILE A 428PHE A 360PHE A 334ALA A 422 | 1.26A | 17.95 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6crv | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | SER A 798ILE A 800THR A1048ALA A 857ALA A 864 | 1.62A | 18.16 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6crv | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 6 / 12 | PHE B1103PHE C 888ILE C 905ALA C 881ALA B1062GLU C 900 | 1.72A | 18.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6cs1 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | PHE C 153ILE C 152ALA C 127THR C 160GLU C 131 | 1.37A | 17.88 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6cs2 | ACE2 (Homosapiens) | 5 / 12 | ASP D 367SER D 420PHE D 369THR D 371ALA D 296 | 1.62A | 20.89 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6cs2 | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | SER B 798ILE B 787THR B 865ALA B1037ALA B 854 | 1.42A | 17.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6m18 | ACE2 (Homosapiens) | 5 / 12 | ASP B 367SER B 420PHE B 369THR B 371ALA B 296 | 1.64A | 19.44 | NoneNAG B 910 (-3.3A)NoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6m1d | ACE2 (Homosapiens) | 5 / 12 | ILE D 379PHE D 308ALA D 311ALA D 412GLU D 406 | 1.47A | 20.15 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 5 / 12 | SER C 798ILE C 787THR C 865ALA C1037ALA C 854 | 1.48A | 18.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6nb6 | SPIKE GLYCOPROTEIN (SARSr-CoV) | 6 / 12 | PHE C1103PHE B 888ILE B 905ALA B 881ALA C1062GLU B 900 | 1.70A | 18.20 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | 6nb8 | S230 ANTIGEN-BINDING(FAB) FRAGMENT,LIGHT CHAIN (Homosapiens) | 3 / 3 | ARG L 51ARG L 50ARG L 59 | 1.30A | 18.29 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_1 (CYTOCHROME P450 3A4) | 6nus | NSP12 (SARSr-CoV) | 5 / 12 | PHE A 321PHE A 313ILE A 466PHE A 317THR A 248 | 1.35A | 20.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | 6vw1 | ACE2 (Homosapiens) | 5 / 12 | ASP A 367SER A 420PHE A 369THR A 371ALA A 296 | 1.61A | 21.46 | NoneNAG A 707 (-3.8A)NoneNoneNone |