Protein target profile

VK055_0537

C4-dicarboxylate transporter/malic acid transport family protein

Genome: KpATCC43816 Gene: AIK79160.1 tdt 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GTJ7

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Length 334

Pocket druggability 0.983

Direct ligand evidence 0 53 total records

Functional annotation 0 EC 7 GO

Target summary

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

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Second pocket predictor agrees P2Rank predicted binding-site probability 0.82. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.

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: 1.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 0.0 Higher values support similarity to known essential genes.

Localization

Localization: CytoplasmicMembrane

Structure confidence

ColabFold pLDDT: 94.72 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.983

Structure A0A0H3GTJ7

Pocket Pocket 16

P2Rank 0.821

Structure A0A0H3GTJ7

Pocket Pocket 1

ColabFold model

FPocket 0.961 · Pocket 1

P2Rank 0.85 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 59 / 4744 genomes with a hit

Prevalence 1.2%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A0A0H3GTJ7

Sequence

Primary amino-acid sequence viewer.

MNKTQTPRQVLNLPAGYFGMVLGTIGMGFAWRYASTLWPVSRSIGDGLVTLAMAMWVLLSMAFISRAIRFPASVLREMRHPVSSSFVSLFPATTLLVAIGLAPWCRPLAIGLFVPGVALQLAYAAWQSGGLWRGNHPREATTPGLYLPTVANNFISAMACGALGFSDAGLVFLGAGVFSWLSLEPAILQRLRSAGELPTPLRTSLGIQLAPALVACSAWLSVNGGEADTFAKLLFGYGLLQLLFMLRLMPWYLRQPFNASFWSFSFGISALATTGLHLGQARGDGFFHHLAMPLFIFSNLVVGLLLLRTALLLVSGKLLLQVDRETLLNKKEGS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
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:0042802 Binding to an identical protein or proteins.
GO:0046583 Enables the transfer of a cation or cations from the inside of the cell to the outside of the cell across a membrane.
GO:0046677 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.
GO:0046690 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a tellurium ion stimulus.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

39 records

Show feature table

Start	End	DB	Term	Name
7	321	Gene3D	G3DSA:1.50.10.150	-
7	321	InterPro	IPR038665	Voltage-dependent anion channel superfamily
48	70	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
259	278	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
103	107	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12	31	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
290	314	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
6	321	FunFam	G3DSA:1.50.10.150:FF:000002	Tellurite resistance protein TehA
169	188	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
315	334	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
43	64	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	104	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
8	324	PANTHER	PTHR37955	TELLURITE RESISTANCE PROTEIN TEHA
143	165	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
127	153	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
234	253	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	309	Pfam	PF03595	Voltage-dependent anion channel
12	309	InterPro	IPR004695	Transporter protein SLAC1/Mae1/ Ssu1/TehA
201	222	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
108	130	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
14	303	CDD	cd09324	TDT_TehA
14	303	InterPro	IPR039264	Tellurite resistance protein TehA
32	42	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
201	223	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
182	200	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
257	279	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
233	250	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
85	102	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
154	181	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
254	258	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
13	316	NCBIfam	TIGR00816	tellurite-resistance/dicarboxylate transporter
13	316	InterPro	IPR011552	Tellurite resistance protein TehA/malic acid transport protein
279	289	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
65	84	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
223	233	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
294	316	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
108	126	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

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.

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Pocket score High Medium Low

How colors and pocket overlays are used

Uniform protein color marks the displayed model as a single molecular object.

Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.

Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.

'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.

'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.

'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.

Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #16

0.983

Likely same site as P2Rank 4 1.2 Å 14 shared residues 100% of smaller site

Unusual size

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Surrounding area

Site 2 FPocket #1

0.94

Likely same site as P2Rank 3 4.9 Å 14 shared residues 74% of smaller site

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Surrounding area

Site 3 FPocket #24

0.713

Likely same site as P2Rank 2 1.3 Å 12 shared residues 100% of smaller site

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Surrounding area

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.821

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Surrounding area

Site 2 P2Rank #2

0.692

Likely same site as FPocket 24 1.3 Å 12 shared residues 100% of smaller site

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Surrounding area

Site 3 P2Rank #3

0.569

Likely same site as FPocket 1 4.9 Å 14 shared residues 74% of smaller site

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Surrounding area

Site 4 P2Rank #4

0.232

Likely same site as FPocket 16 1.2 Å 14 shared residues 100% of smaller site

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Surrounding area

Site 5 P2Rank #5

0.214

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Surrounding area

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1

0.961

Likely same site as P2Rank 3 0.5 Å 27 shared residues 100% of smaller site

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Surrounding area

Site 2 FPocket #8

0.883

Likely same site as P2Rank 2 1.6 Å 14 shared residues 100% of smaller site

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Surrounding area

Site 3 FPocket #23

0.314

Likely same site as P2Rank 4 2.9 Å 10 shared residues 83% of smaller site

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Surrounding area

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1

0.85

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Surrounding area

Site 2 P2Rank #2

0.8

Likely same site as FPocket 8 1.6 Å 14 shared residues 100% of smaller site

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Surrounding area

Site 3 P2Rank #3

0.721

Likely same site as FPocket 1 0.5 Å 27 shared residues 100% of smaller site

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Surrounding area

Site 4 P2Rank #4

0.297

Likely same site as FPocket 23 2.9 Å 10 shared residues 83% of smaller site

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Surrounding area

Site 5 P2Rank #5

0.234

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Surrounding area

All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

Experimental 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_A0A0H3GTJ7	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_0537	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.

53 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 3 records from similar proteins

Structural ligands 3 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

BOG PDB via homolog 292.4 Da · LogP 0.16 · TPSA 99.4 Open detail RCSB PDB

PLC PDB via homolog Detail RCSB PDB

SPH PDB via homolog Detail RCSB PDB

ZINC100034925 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC100056252 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
BOG RCSB PDB	3M7L	P44741	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)…`
PLC RCSB PDB	7EN0	A0A0Q3IDG7	622.8 Da LogP 8.12 TPSA 108.4	2 viol.	✓ Clean	`CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)…`
SPH RCSB PDB	7EN0	A0A0Q3IDG7	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O`

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).

No ChEMBL hits found through similar proteins.

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
ZINC100034925 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](…`
ZINC100056252 ZINC	1.000	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC100622854 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O…`
ZINC100622858 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O…`
ZINC100622862 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](…`
ZINC100623033 ZINC	1.000	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC100623036 ZINC	1.000	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O…`
ZINC100623039 ZINC	1.000	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC118906329 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[…`
ZINC118906375 ZINC	1.000	264.3 Da LogP -0.62 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC118911500 ZINC	1.000	278.3 Da LogP -0.23 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]…`
ZINC13544781 ZINC	1.000	482.6 Da LogP 4.22 TPSA 108.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C…`
ZINC13544783 ZINC	1.000	482.6 Da LogP 4.22 TPSA 108.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)…`
ZINC140958235 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)…`
ZINC141152247 ZINC	1.000	264.3 Da LogP -0.62 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]…`
ZINC14880350 ZINC	1.000	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C…`
ZINC1903846766 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=C[C@H](O)[C@H](N)CO`
ZINC1903846767 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=C[C@@H](O)[C@H](N)CO`
ZINC1903846768 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=C[C@H](O)[C@@H](N)CO`
ZINC1903846769 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO`
ZINC2296559890 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO`
ZINC2356543428 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC=C[C@@H](O)[C@H](N)CO`
ZINC2356543430 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC=C[C@H](O)[C@@H](N)CO`
ZINC2356543431 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC=C[C@H](O)[C@H](N)CO`
ZINC2574358 ZINC	1.000	243.4 Da LogP 2.36 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO`
ZINC299888723 ZINC	1.000	243.4 Da LogP 2.36 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCC/C=C\[C@H](O)[C@@H](N)CO`
ZINC40165555 ZINC	1.000	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H…`
ZINC43335325 ZINC	1.000	215.3 Da LogP 1.58 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC4521560 ZINC	1.000	264.3 Da LogP -0.62 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O`
ZINC48016017 ZINC	1.000	278.3 Da LogP -0.23 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]…`
ZINC49780096 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC53683291 ZINC	1.000	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]…`
ZINC58563863 ZINC	1.000	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]…`
ZINC64858881 ZINC	1.000	257.4 Da LogP 2.75 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO`
ZINC64858886 ZINC	1.000	257.4 Da LogP 2.75 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC64858887 ZINC	1.000	285.5 Da LogP 3.53 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO`
ZINC64858891 ZINC	1.000	327.6 Da LogP 4.70 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO`
ZINC64858897 ZINC	1.000	327.6 Da LogP 4.70 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC71788563 ZINC	1.000	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC72399366 ZINC	1.000	243.4 Da LogP 2.36 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC8036008 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC/C=C\[C@@H](O)[C@@H](N)CO`
ZINC8195647 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](N)CO`
ZINC8195648 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)CO`
ZINC8195649 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](N)CO`
ZINC8195650 ZINC	1.000	299.5 Da LogP 3.92 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC85590876 ZINC	1.000	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC85605815 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC85892742 ZINC	1.000	271.4 Da LogP 3.14 TPSA 66.5	✓ Ro5	✓ Clean	`CCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO`
ZINC94437834 ZINC	1.000	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O`
ZINC95713698 ZINC	1.000	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)…`

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.