Protein target profile

VK055_1314

zinc-binding dehydrogenase family protein

Genome: KpATCC43816 Gene: AIK79937.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GLL4

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Length 397

Pocket druggability 0.982

Direct ligand evidence 0 71 total records

Functional annotation 0 EC 2 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

Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Second pocket predictor agrees P2Rank predicted binding-site probability 0.98. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 9 structural and 12 bioactivity records.

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 (%): 31.707 Lower values reduce human off-target concern.
Human E-value: 1.67e-07
Gut microbiome similarity: 1.3% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 79.241 Higher values support similarity to known essential genes.
DEG E-value: 0.0 Smaller values mean stronger essential-gene similarity.

Localization

Localization: Cytoplasmic

Structure confidence

ColabFold pLDDT: 92.62 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 0.982

Structure A0A0H3GLL4

Pocket Pocket 1

P2Rank 0.977

Structure A0A0H3GLL4

Pocket Pocket 1

ColabFold model

FPocket 0.415 · Pocket 22

P2Rank 0.985 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 60 / 4744 genomes with a hit

Prevalence 1.3%

Cross-references

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

Sequence

UniProt A0A0H3GLL4

Chemistry

ChEMBL 022 ChEMBL CHEMBL4283157 ChEMBL CHEMBL4290516 ChEMBL CHEMBL4282722 ChEMBL CHEMBL4285078 ChEMBL CHEMBL4292916 ChEMBL CHEMBL4281650 ChEMBL CHEMBL4290901 ChEMBL CHEMBL4289534 ChEMBL CHEMBL4279860 ChEMBL CHEMBL4280261 ChEMBL CHEMBL4291013

Sequence

Primary amino-acid sequence viewer.

MKALTYHGPHHVSVDTMPDPALEAADDIILRVTATAICGSDLHLYRGKIPGTHHGDIFGHEFMGEVVEAGSEVTAVRKGDRVVIPFVIACGDCFFCRLQQYAACESTNSGQGATLNRKGISPPAALFGYSDLYGGIPGGQAEYVRVPKANTGPFKVPDTLPDEKVLFLSDILPTAWQAVKNAEVKPGSSVAIFGAGPVGLLCASCARLNGAEQIFIIDHNDYRLDFAQQRYGAIPINFDHHDDPAQWIIDNTPGHRGVDAVIDAVGFEAKGSLTETVLSTLKIEGSSGKALRQCIAAVRRGGIVSVPGVYAGFIHGFMFGDAFDKGLTFRMGQTHVHAWLPDLLALIEQGLLTPEEIVTHHMPLEEAARGYQIFEKREEACRKVILVPGMQPGKATL

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

GO:0008270 Binding to a zinc ion (Zn).
GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

16 records

Show feature table

Start	End	DB	Term	Name
1	196	SUPERFAMILY	SSF50129	GroES-like
1	196	InterPro	IPR011032	GroES-like superfamily
1	23	Pfam	PF13823	Alcohol dehydrogenase GroES-associated
1	23	InterPro	IPR027399	Alcohol dehydrogenase GroES-associated
26	150	Pfam	PF08240	Alcohol dehydrogenase GroES-like domain
26	150	InterPro	IPR013154	Alcohol dehydrogenase-like, N-terminal
1	388	PANTHER	PTHR42813	ZINC-TYPE ALCOHOL DEHYDROGENASE-LIKE
177	338	Gene3D	G3DSA:3.40.50.720	-
1	388	CDD	cd08283	FDH_like_1
5	375	Gene3D	G3DSA:3.90.180.10	-
197	282	Pfam	PF00107	Zinc-binding dehydrogenase
197	282	InterPro	IPR013149	Alcohol dehydrogenase-like, C-terminal
59	73	ProSitePatterns	PS00059	Zinc-containing alcohol dehydrogenases signature.
59	73	InterPro	IPR002328	Alcohol dehydrogenase, zinc-type, conserved site
164	349	SUPERFAMILY	SSF51735	NAD(P)-binding Rossmann-fold domains
164	349	InterPro	IPR036291	NAD(P)-binding domain superfamily

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 #1

0.982

Likely same site as P2Rank 1 0.8 Å 40 shared residues 95% of smaller site

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

0.977

Likely same site as FPocket 1 0.8 Å 40 shared residues 95% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.149

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Surrounding area

Site 3 P2Rank #3

0.063

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Surrounding area

Site 4 P2Rank #4

0.007

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Surrounding area

Site 5 P2Rank #5

0.004

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Surrounding area

Binding pockets · FPocket

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

Site 1 FPocket #22

0.415

Likely same site as P2Rank 1 3.9 Å 51 shared residues 100% of smaller site

Unusual size

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Surrounding area

Site 2 FPocket #21

0.39

Likely same site as P2Rank 2 2.2 Å 7 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

0.985

Likely same site as FPocket 22 3.9 Å 51 shared residues 100% of smaller site

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Surrounding area

Site 2 P2Rank #2

0.031

Likely same site as FPocket 21 2.2 Å 7 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_A0A0H3GLL4	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1314	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.

71 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 21 records from similar proteins

Structural ligands 9 0 loaded crystals

Measured bioactivity 12 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

12H PDB via homolog 216.3 Da · LogP 2.96 · TPSA 57.5 Open detail RCSB PDB

AHE PDB via homolog Detail RCSB PDB

APR PDB via homolog Detail RCSB PDB

CAC PDB via homolog Detail RCSB PDB

DAO PDB via homolog Detail RCSB PDB

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
12H RCSB PDB	1M6W	P11766	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`C(CCCCCC(=O)O)CCCCCO`
AHE RCSB PDB	1MC5	P11766	337.4 Da LogP -2.45 TPSA 179.1	1 viol.	✓ Clean	`C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)…`
APR RCSB PDB	2FZE	P11766	559.3 Da LogP -3.28 TPSA 291.5	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
CAC RCSB PDB	1Y9A	P35630	137.0 Da LogP -0.52 TPSA 40.1	✓ Ro5	✓ Clean	`C[As](=O)(C)[O-]`
DAO RCSB PDB	1MA0	P11766	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
FU2 RCSB PDB	3S2F	Q46UZ9	96.1 Da LogP 1.09 TPSA 30.2	✓ Ro5	✓ Clean	`c1cc(oc1)C=O`
ISP RCSB PDB	3S2F	Q46UZ9	140.1 Da LogP 0.50 TPSA 66.8	✓ Ro5	✓ Clean	`CC(C)OP(=O)(O)O`
N2P RCSB PDB	3QJ5	P11766	102.2 Da LogP 0.07 TPSA 52.0	✓ Ro5	✓ Clean	`C(CCN)CCN`
SBT RCSB PDB	1BXZ	P14941	74.1 Da LogP 0.78 TPSA 20.2	✓ Ro5	✓ Clean	`CC[C@H](C)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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
022 ChEMBL	P11766	7.70 ~20.0 nM	414.5 Da LogP 3.75 TPSA 103.1	✓ Ro5	Alert	`Cc1cc(ccc1n2c(ccc2c3ccc(cc3)n4ccnc4)CCC(=O)O)C(…`
CHEMBL4283157 ChEMBL	P11766	7.70 ~20.0 nM	278.3 Da LogP 3.55 TPSA 55.1	✓ Ro5	✓ Clean	`Cc1cc(-n2ccnc2)ccc1-c1ccc(C(=O)O)cc1`
CHEMBL4290516 ChEMBL	P11766	7.66 ~21.9 nM	288.3 Da LogP 2.72 TPSA 72.3	✓ Ro5	✓ Clean	`c1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1`
CHEMBL4282722 ChEMBL	P11766	7.54 ~28.8 nM	282.3 Da LogP 3.38 TPSA 55.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(F)c1`
CHEMBL4285078 ChEMBL	P11766	7.54 ~28.8 nM	278.3 Da LogP 3.55 TPSA 55.1	✓ Ro5	✓ Clean	`Cc1cc(C(=O)O)ccc1-c1ccc(-n2ccnc2)cc1`
CHEMBL4292916 ChEMBL	P11766	7.52 ~30.2 nM	298.7 Da LogP 3.89 TPSA 55.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(Cl)c1`
CHEMBL4281650 ChEMBL	P11766	7.42 ~38.0 nM	332.3 Da LogP 4.26 TPSA 55.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)c(C(F)(F)F)c1`
CHEMBL4290901 ChEMBL	P11766	7.39 ~40.7 nM	279.3 Da LogP 2.94 TPSA 68.0	✓ Ro5	✓ Clean	`Cc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1`
CHEMBL4289534 ChEMBL	P11766	7.23 ~58.9 nM	298.7 Da LogP 3.89 TPSA 55.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2Cl)cc1`
CHEMBL4279860 ChEMBL	P11766	7.21 ~61.7 nM	264.3 Da LogP 3.24 TPSA 55.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1`
CHEMBL4280261 ChEMBL	P11766	7.05 ~89.1 nM	299.7 Da LogP 3.29 TPSA 68.0	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ncc(-n3ccnc3)cc2Cl)cc1`
CHEMBL4291013 ChEMBL	P11766	6.67 ~213.8 nM	265.3 Da LogP 2.63 TPSA 68.0	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1`

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
ZINC12501520 ZINC	1.000	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC14510370 ZINC	1.000	244.4 Da LogP 3.74 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCO`
ZINC1529498 ZINC	1.000	200.3 Da LogP 3.99 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)O`
ZINC1530417 ZINC	1.000	228.4 Da LogP 4.77 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)O`
ZINC1531061 ZINC	1.000	216.3 Da LogP 2.96 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCO`
ZINC1610426 ZINC	1.000	230.3 Da LogP 3.35 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCO`
ZINC1628119 ZINC	1.000	214.3 Da LogP 4.38 TPSA 37.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)O`
ZINC1685531 ZINC	1.000	200.4 Da LogP 2.80 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCN`
ZINC2168567 ZINC	1.000	202.3 Da LogP 2.57 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCO`
ZINC34273707 ZINC	1.000	256.5 Da LogP 4.37 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCCCN`
ZINC3861297 ZINC	1.000	272.4 Da LogP 4.52 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCCO`
ZINC3874716 ZINC	1.000	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769 ZINC	1.000	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4284502 ZINC	1.000	258.4 Da LogP 4.13 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCO`
ZINC4521548 ZINC	1.000	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC5178646 ZINC	1.000	228.4 Da LogP 3.59 TPSA 52.0	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCN`
ZINC5178829 ZINC	1.000	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830 ZINC	1.000	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5287109 ZINC	1.000	286.5 Da LogP 4.91 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCCCCO`
ZINC66156654 ZINC	1.000	414.5 Da LogP 3.75 TPSA 103.1	✓ Ro5	Alert	`Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cc…`
ZINC4002549 ZINC	0.969	212.2 Da LogP 1.05 TPSA 72.3	✓ Ro5	✓ Clean	`c1cn(-c2ccc(-c3nn[nH]n3)cc2)cn1`
ZINC12360002 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12360703 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC12503599 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC16546165 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…`
ZINC31977053 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC4806433 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC53683898 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586019 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…`
ZINC8586020 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC8586021 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…`
ZINC8586022 ZINC	0.855	427.2 Da LogP -1.75 TPSA 232.6	2 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC138457918 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCC(=O)O`
ZINC138458029 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCC(=O)O`
ZINC144395054 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCC(=O)O`
ZINC14619628 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCCCCC(=O)O`
ZINC196749828 ZINC	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCC(=O)O`
ZINC2113934076 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCC(=O)O`
ZINC2113934082 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCC(=O)O`
ZINC2113934083 ZINC	0.850	256.4 Da LogP 4.34 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCC(=O)O`
ZINC2243670 ZINC	0.850	228.3 Da LogP 3.56 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCCC(=O)O`
ZINC2569203 ZINC	0.850	214.3 Da LogP 3.17 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCC(=O)CCCCCC(=O)O`
ZINC4798470 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCCCC(=O)O`
ZINC5973005 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCC(=O)CCCCCCC(=O)O`
ZINC71418182 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)CCCCC(=O)O`
ZINC79244776 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)CCCCCCCC(=O)O`
ZINC86037082 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)CCCCCC(=O)O`
ZINC86037089 ZINC	0.850	270.4 Da LogP 4.73 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCCCC(=O)O`
ZINC86039283 ZINC	0.850	242.4 Da LogP 3.95 TPSA 54.4	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)CCCCC(=O)O`
ZINC113465827 ZINC	0.842	286.4 Da LogP 3.70 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCC(=O)CCCCCCCCCCO`

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.