Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Human immunodeficiency virus 1 | Protease | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Entamoeba histolytica | retroviral aspartyl protease domain-containing protein | Protease | 99 aa | 102 aa | 32.4 % |
Entamoeba histolytica | retroviral aspartyl protease domain-containing protein | Protease | 99 aa | 102 aa | 32.4 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0028 | 0.0062 |
Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0697 | 0.4527 | 1 |
Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0697 | 0.4527 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0697 | 0.4527 | 0.5 |
Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0697 | 0.4527 | 1 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 0.0028 | 0.5 |
Brugia malayi | MAP kinase sur-1 | 0.0697 | 0.4527 | 1 |
Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0697 | 0.4527 | 1 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0697 | 0.4527 | 0.5 |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0697 | 0.4527 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0697 | 0.4527 | 0.5 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0697 | 0.4527 | 0.5 |
Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0697 | 0.4527 | 1 |
Trichomonas vaginalis | CMGC family protein kinase | 0.0697 | 0.4527 | 0.5 |
Echinococcus multilocularis | mitogen activated protein kinase | 0.0697 | 0.4527 | 0.5 |
Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0697 | 0.4527 | 0.5 |
Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0697 | 0.4527 | 1 |
Trypanosoma brucei | protein kinase, putative | 0.0697 | 0.4527 | 1 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 0.0028 | 0.0062 |
Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0697 | 0.4527 | 1 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0697 | 0.4527 | 0.5 |
Giardia lamblia | Kinase, CMGC MAPK | 0.0697 | 0.4527 | 0.5 |
Echinococcus granulosus | mitogen activated protein kinase | 0.0697 | 0.4527 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0028 | 0.0062 |
Schistosoma mansoni | serine/threonine protein kinase | 0.0697 | 0.4527 | 0.3358 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | < 0.1 uM | Inhibition of human CYP3A4-mdiated midazolam 1'-hydroxylase activity | ChEMBL. | 24412072 |
IC50 (binding) | = 3.59 uM | Inhibition of HIV-1 protease | ChEMBL. | 24412072 |
Ratio IC50 (ADMET) | = 80 | Ratio of compound IC50 to ritonavir IC50 for human CYP3A4-mdiated midazolam 1'-hydroxylase activity | ChEMBL. | 24412072 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
1 literature reference was collected for this gene.