Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Human immunodeficiency virus 1 | Protease | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
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 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0015 | 0.0028 | 0.5 |
Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0697 | 0.4527 | 1 |
Brugia malayi | MAP kinase sur-1 | 0.0697 | 0.4527 | 1 |
Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0697 | 0.4527 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0015 | 0.0028 | 0.0062 |
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 |
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 |
Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0697 | 0.4527 | 0.5 |
Trypanosoma brucei | mitogen activated protein kinase 4, putative | 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 |
Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0697 | 0.4527 | 1 |
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 |
Trypanosoma brucei | protein kinase, putative | 0.0697 | 0.4527 | 1 |
Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0697 | 0.4527 | 1 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0015 | 0.0028 | 0.0062 |
Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0697 | 0.4527 | 0.5 |
Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0697 | 0.4527 | 1 |
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 |
Giardia lamblia | Kinase, CMGC MAPK | 0.0697 | 0.4527 | 0.5 |
Echinococcus granulosus | mitogen activated protein kinase | 0.0697 | 0.4527 | 0.5 |
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.