Promising target candidate with multiple supporting evidence streams.
Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.
Main supporting evidence
Risks to review
Evidence coverage
Terms and data sources used on this page
PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.
AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.
ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.
pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.
FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.
Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.
PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.
ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.
ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.
LigQ / LigQ_2: an internal Target pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.
Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.
DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.
Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.
EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.
KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.
Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.
Prioritization evidence
Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.
Off-target risk
- Human off-target
- No hit
- Gut microbiome similarity
- 6.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.
Essentiality
- Essential (DEG)
- Y
- DEG identity (%)
- 44.828 Higher values support similarity to known essential genes.
- DEG E-value
- 4.16e-10 Smaller values mean stronger essential-gene similarity.
Structure confidence
- ColabFold pLDDT
- 70.3 0-100 confidence; >70 supports local structural interpretation.
Binding-site evidence
AlphaFold DB / UniProt modelP2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.
Sequence
Primary amino-acid sequence viewer.
MFIAGLLEVVWAVGLKYTHGFSRLVPSVITIVAMVASMALLSWAMKTLPVGTAYAVWTGIGAVGAAVTGIVLLGESASAMRIASLVCIVIGIIGLKISAH
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Subcellular localization
- Localization
- CytoplasmicMembrane
Gene Ontology (GO)
4- GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- GO:1990961 A process that reduces or removes the toxicity of a xenobiotic by exporting it outside the cell.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 100 | 100 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 1 | 19 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 20 | 41 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 21 | 43 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 100 | FunFam | G3DSA:1.10.3730.20:FF:000001 | Quaternary ammonium compound resistance transporter SugE |
| 53 | 75 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 97 | SUPERFAMILY | SSF103481 | Multidrug resistance efflux transporter EmrE |
| 82 | 99 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 2 | 88 | Pfam | PF00893 | Small Multidrug Resistance protein |
| 2 | 88 | InterPro | IPR045324 | Small multidrug resistance protein |
| 42 | 52 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 79 | 99 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 2 | 100 | PANTHER | PTHR30561 | SMR FAMILY PROTON-DEPENDENT DRUG EFFLUX TRANSPORTER SUGE |
| 2 | 100 | InterPro | IPR000390 | Small drug/metabolite transporter protein family |
| 74 | 78 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 53 | 73 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 100 | Gene3D | G3DSA:1.10.3730.20 | - |
3D structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.
How colors and pocket overlays are used
Pocket details Inspect a specific pocket, or open the full viewer
- Method
- -
- Score
- -
- Visible layer
- -
- Residues
- -
- Pocket properties
- -
Selecting a pocket opens its details and centers the viewer without clearing other active layers. Use Focus this pocket when you want to hide the rest; use Surface for the wider residue environment.
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
All structural evidence
Structural evidence
0 + 2Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold DB
AF_A0A0H3GHZ8
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
VK055_2916
|
ColabFold | — | — | full sequence | — | Loaded |
Ligand evidence
Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.
Bioactivity evidence is available for this target.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.
No PDB ligands found through similar proteins.
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL891 ChEMBL | Q3S5C3 | 8.40 ~4.0 nM | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| CHEMBL158 ChEMBL | Q3S5C3 | 8.22 ~6.0 nM | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…
|
| CHEMBL333078 ChEMBL | Q3S5C3 | 6.52 ~302.0 nM | 270.3 Da LogP -0.74 TPSA 115.5 | ✓ Ro5 | ✓ Clean |
C[C@]1(/C=C\C#N)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=…
|
| CHEMBL224214 ChEMBL | Q2FD83 | — | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC15848211 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…
|
| ZINC161387 ZINC | 1.000 | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
| ZINC16958002 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC17214369 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc…
|
| ZINC21986197 ZINC | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1…
|
| ZINC252430978 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n…
|
| ZINC256010240 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…
|
| ZINC256010241 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N…
|
| ZINC256010242 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)…
|
| ZINC3830263 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC3830264 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N…
|
| ZINC3830266 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(…
|
| ZINC3830593 ZINC | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| ZINC3830594 ZINC | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1S…
|
| ZINC3830595 ZINC | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1…
|
| ZINC3875417 ZINC | 1.000 | 435.9 Da LogP 2.55 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]…
|
| ZINC4676362 ZINC | 1.000 | 435.4 Da LogP -1.17 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
C[C@@H]1[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc…
|
| ZINC1530612 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@…
|
| ZINC2015281 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3830690 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3830691 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@…
|
| ZINC3830692 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC3978006 ZINC | 0.839 | 470.3 Da LogP 3.20 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C…
|
| ZINC1532344 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@…
|
| ZINC3830843 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC3830844 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H…
|
| ZINC3830845 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC4102187 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC9230633 ZINC | 0.800 | 453.9 Da LogP 2.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@…
|
| ZINC3831241 ZINC | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1S…
|
| ZINC3831242 ZINC | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(…
|
| ZINC3831243 ZINC | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC…
|
| ZINC3875439 ZINC | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C…
|
| ZINC9212279 ZINC | 0.790 | 401.4 Da LogP 1.90 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC…
|
| ZINC148820510 ZINC | 0.781 | 453.4 Da LogP -1.22 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
CC(C)(O/N=C(/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@…
|
| ZINC12503091 ZINC | 0.703 | 435.4 Da LogP -0.33 TPSA 205.1 | ✓ Ro5 | ✓ Clean |
C[C@H]1[C@H](/N=C(O)/C(=N/OC(C)(C)C(=O)O)c2csc(…
|
| ZINC110918 ZINC | 0.688 | 239.1 Da LogP 2.81 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cc(Cl)cc(Cl)c1
|
| ZINC1554503643 ZINC | 0.676 | 260.6 Da LogP 1.29 TPSA 106.1 | ✓ Ro5 | Alert |
N#CC(=O)C(=NNc1cccc(Cl)c1)C(=O)C#N
|
| ZINC4194526 ZINC | 0.657 | 249.1 Da LogP 2.26 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Br)c1
|
| ZINC5427363 ZINC | 0.647 | 239.1 Da LogP 2.81 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1ccc(Cl)c(Cl)c1
|
| ZINC1560410105 ZINC | 0.636 | 433.4 Da LogP -0.70 TPSA 201.6 | ✓ Ro5 | ✓ Clean |
CC1=C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)…
|
| ZINC204907801 ZINC | 0.629 | 425.5 Da LogP 0.61 TPSA 147.2 | ✓ Ro5 | ✓ Clean |
CC1=CN2C(=O)[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)O)c…
|
| ZINC613829019 ZINC | 0.629 | 425.5 Da LogP 0.61 TPSA 147.2 | ✓ Ro5 | ✓ Clean |
CC1=CN2C(=O)[C@@H](NC(=O)C(=NOC(C)(C)C(=O)O)c3c…
|
| ZINC495173 ZINC | 0.605 | 238.2 Da LogP 2.52 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(C(F)(F)F)c1
|
| ZINC2086 ZINC | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
|
| ZINC2548423 ZINC | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O
|
| ZINC336994 ZINC | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O
|
| ZINC897244 ZINC | 0.605 | 233.2 Da LogP -0.79 TPSA 91.8 | ✓ Ro5 | ✓ Clean |
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
|
| ZINC13111736 ZINC | 0.595 | 283.7 Da LogP 3.51 TPSA 65.2 | ✓ Ro5 | Alert |
N#C/C(=N\Nc1cccc(Cl)c1)C(=O)c1ccccc1
|
| ZINC353283 ZINC | 0.595 | 318.2 Da LogP 4.17 TPSA 65.2 | ✓ Ro5 | Alert |
N#C/C(=N/Nc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1
|
PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.
Cross-references
External database identifiers for this protein, its structures, ligands, and metabolic reactions.