Protein target profile

KP13_00142

Inner membrane symporter

Genome: KpKP13 Gene: AHE42062.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3H4M0

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Length 464

Pocket druggability 0.744

Direct ligand evidence 0 52 total records

Functional annotation 0 EC 6 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

Independent pocket support: FPocket + P2Rank Both predictors report a high-scoring binding site (FPocket 0.74, P2Rank 0.96). Use the 3D pocket comparison to verify whether they identify the same site. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.74. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.96. 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: Hit
Human identity (%): 30.247 Lower values reduce human off-target concern.
Human E-value: 4.49e-10
Gut microbiome similarity: 1.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 44.444 Higher values support similarity to known essential genes.
DEG E-value: 2.03e-121 Smaller values mean stronger essential-gene similarity.

Localization

Localization: CytoplasmicMembrane

Structure confidence

ColabFold pLDDT: 88.12 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 0.744

Structure A0A0H3H4M0

Pocket Pocket 22

P2Rank 0.964

Structure A0A0H3H4M0

Pocket Pocket 1

ColabFold model

FPocket 0.966 · Pocket 26

P2Rank 0.97 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 54 / 4744 genomes with a hit

Prevalence 1.1%

Cross-references

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

Sequence

UniProt A0A0H3H4M0

Sequence

Primary amino-acid sequence viewer.

MKDHILSVKEKIGYGMGDAASHIIFDNVMLYMMFFYTDIFGIPAGFVGTMFLLARALDAISDPCMGLLADRTRSRWGKFRPWILFGAIPFGLVCVLAYSSPDLSHNGKLIYAAVTYTLLTLLYTVVNIPYCALGGVITDNPTQRISLQSWRFVLATAGGMLSTVLMMPLVNFIGGEDKALGFQGGIAVLSVIAFLMLAFCFFTTKERVEAPPSSTSMREDLRDIWRNDQWRVVGVLTILNILAVCVRGGAMMYYTTWIMGSAALFTAFLTTYCVGNLIGSALAKPLTDWKCKVSVFWWTNALLAVLSVAMFFVPMDAEITMFVFIFVIGVLHQLVTPIQWVMMSDTVDYGEWCNGKRLTGISFAGTLFVLKLGLALGGALIGWMLAGGGYDAAAKTQNSATLTIIIALFTLVPAVCYLLSAVIAKRYYTLKTPFLKKMMAELAEGARRNEQDFTAAPIDKEWQN

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

GO:0015293 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported together in the same direction in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy.
GO:0006814 The directed movement of sodium ions (Na+) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
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:0008643 The directed movement of carbohydrate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Carbohydrates are a group of organic compounds based of the general formula Cx(H2O)y.
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.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

49 records

Show feature table

Start	End	DB	Term	Name
203	231	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
79	98	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
295	313	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
59	78	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
319	342	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
16	421	FunFam	G3DSA:1.20.1250.20:FF:000045	Glycoside-pentoside-hexuronide family transporter
152	174	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
258	280	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
109	131	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
404	428	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	421	SUPERFAMILY	SSF103473	MFS general substrate transporter
13	421	InterPro	IPR036259	MFS transporter superfamily
260	283	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	99	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
293	315	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
429	464	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
255	259	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
363	384	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
232	254	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
314	318	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
175	179	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12	34	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
363	385	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	427	Pfam	PF13347	MFS/sugar transport protein
11	431	CDD	cd17332	MFS_MelB_like
19	424	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
19	424	InterPro	IPR036259	MFS transporter superfamily
11	443	NCBIfam	TIGR00792	glycoside-pentoside-hexuronide (GPH):cation symporter
11	443	InterPro	IPR001927	Sodium:galactoside symporter
320	342	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
133	151	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
400	422	TMHMM	TMhelix	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.
99	109	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
284	294	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
152	174	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
232	254	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
110	132	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
343	362	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
40	58	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
62	87	ProSitePatterns	PS00872	Sodium:galactoside symporter family signature.
62	87	InterPro	IPR018043	Sodium:galactoside symporter, conserved site
385	403	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
180	202	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
179	201	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
35	39	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
32	54	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
2	446	PANTHER	PTHR11328	MAJOR FACILITATOR SUPERFAMILY DOMAIN-CONTAINING PROTEIN
2	446	InterPro	IPR039672	Lactose permease-like

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 #22

0.744

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Surrounding area

Site 2 FPocket #7

0.702

Likely same site as P2Rank 1 5.3 Å 21 shared residues 81% of smaller site

Unusual size

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Surrounding area

Site 3 FPocket #29

0.658

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Surrounding area

Site 4 FPocket #30

0.617

Unusual size

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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

0.964

Likely same site as FPocket 7 5.3 Å 21 shared residues 81% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.186

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Surrounding area

Site 3 P2Rank #3

0.154

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Surrounding area

Site 4 P2Rank #4

0.044

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Surrounding area

Site 5 P2Rank #5

0.04

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #26

0.966

Likely same site as P2Rank 1 7.4 Å 17 shared residues 71% of smaller site

Unusual size

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Surrounding area

Site 2 FPocket #19

0.708

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Surrounding area

Site 3 FPocket #5

0.707

Likely same site as P2Rank 5 2.5 Å 9 shared residues 100% of smaller site

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Surrounding area

Site 4 FPocket #1

0.387

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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

0.97

Likely same site as FPocket 26 7.4 Å 17 shared residues 71% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.317

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Surrounding area

Site 3 P2Rank #3

0.081

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Surrounding area

Site 4 P2Rank #4

0.061

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Surrounding area

Site 5 P2Rank #5

0.04

Likely same site as FPocket 5 2.5 Å 9 shared residues 100% of smaller site

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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_A0A0H3H4M0	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_00142	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.

52 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 2 records from similar proteins

Structural ligands 2 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

9PG PDB via homolog 301.3 Da · LogP -1.23 · TPSA 142.5 Open detail RCSB PDB

LMO PDB via homolog Detail RCSB PDB

ZINC1070097 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC12359987 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

ZINC12359988 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
9PG RCSB PDB	7L17	P30878	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H…`
LMO RCSB PDB	7L16	P30878	510.6 Da LogP -0.45 TPSA 178.5	3 viol.	✓ Clean	`CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1…`

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
ZINC1070097 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC12359987 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC12359988 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC134307 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC134310 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC134325 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`
ZINC156947 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC2539731 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC3956718 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC4028812 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC4282153 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282228 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282287 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC44963928 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC4521725 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC5227213 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC5227791 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC5842327 ZINC	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC13550855 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC13550858 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC144550115 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC242464073 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC2556632 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC6093332 ZINC	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`
ZINC100034925 ZINC	0.882	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	0.882	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC100622862 ZINC	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](…`
ZINC100623036 ZINC	0.882	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O…`
ZINC106384623 ZINC	0.882	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@…`
ZINC118906375 ZINC	0.882	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`
ZINC118911494 ZINC	0.882	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…`
ZINC118911500 ZINC	0.882	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]…`
ZINC118911909 ZINC	0.882	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@@…`
ZINC140958235 ZINC	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)…`
ZINC141261234 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C…`
ZINC141262250 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC14880350 ZINC	0.882	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…`
ZINC15609263 ZINC	0.882	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@…`
ZINC48016017 ZINC	0.882	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]…`
ZINC58538417 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C…`
ZINC71788565 ZINC	0.882	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…`
ZINC71788566 ZINC	0.882	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…`
ZINC76945547 ZINC	0.882	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@@…`
ZINC85478989 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC85590876 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC85590883 ZINC	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[…`
ZINC85590888 ZINC	0.882	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	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC94437834 ZINC	0.882	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	0.882	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.