KpATCC43816 Protein target profile

rieske [2Fe-2S] domain protein

Accession: VK055_4111

Gene: AIK82657.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GT40

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Length 340

Pocket druggability (P2Rank · AlphaFold DB model) 0.786

Direct ligand evidence 0 63 total records

Functional annotation 0 EC 4 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. Moderate predicted binding pocket FPocket selected-pocket score 0.56. This supports review but is not experimental validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.79. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Evidence coverage

Core evidence streams are available for this target.

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: 0.8% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): N
DEG identity (%): 40.244 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 90.93 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank'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.

Druggability (P2Rank) 0.786

Structure A0A0H3GT40

Pocket Pocket 1

Druggability (FPocket) 0.561

Structure A0A0H3GT40

Pocket Pocket 1

ColabFold model

P2Rank 0.884 · Pocket 1

FPocket 0.588 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 38 / 4744 genomes with a hit

Prevalence 0.8%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MTTTVQNYLDKGLRGLWYPVLASWEVQSAPVGITRLGEQIVVWRNKDGQVQALEDRCPHRGARLSMGWNLGDRIACWYHGVEVAGNGEVKDVPAVDRCPLVGQQCVRSYSVHEAHGAIFLWFGVTADQQPDELSFPEELADSEKYSNFLCTAAWKCNYQYALENVMDPMHGTYLHSSSHSMAEGDRKADMVLQPTKTGFIFEKKGQSGVNFDWVELGNSGAYWMRLSIPYKKRFGPGGHFWIVGMVVPEDNDNCRVFFWRIRGVQGWQRDLWRFMYRNRLEKLHWEVLEQDRVVLESLAPNARDHEYLYQHDVGLSRLRRMMQKAAKEQLALREAQQGAA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands.
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.
GO:0051213 Catalysis of the incorporation of both atoms of molecular oxygen (O2) into the substrate.
GO:0046872 Binding to a metal ion.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
17	127	CDD	cd03469	Rieske_RO_Alpha_N
10	138	Gene3D	G3DSA:2.102.10.10	-
10	138	InterPro	IPR036922	Rieske [2Fe-2S] iron-sulphur domain superfamily
16	331	PANTHER	PTHR21266	IRON-SULFUR DOMAIN CONTAINING PROTEIN
8	123	SUPERFAMILY	SSF50022	ISP domain
8	123	InterPro	IPR036922	Rieske [2Fe-2S] iron-sulphur domain superfamily
17	120	ProSiteProfiles	PS51296	Rieske [2Fe-2S] iron-sulfur domain profile.
17	120	InterPro	IPR017941	Rieske [2Fe-2S] iron-sulphur domain
17	97	Pfam	PF00355	Rieske [2Fe-2S] domain
17	97	InterPro	IPR017941	Rieske [2Fe-2S] iron-sulphur domain
144	336	Gene3D	G3DSA:3.90.380.10	-
130	328	SUPERFAMILY	SSF55961	Bet v1-like
154	327	Pfam	PF19112	Vanillate O-demethylase oxygenase C-terminal domain
154	327	InterPro	IPR044043	Vanillate O-demethylase oxygenase-like, C-terminal catalytic domain

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 · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.786

Likely same site as FPocket 1 1.4 Å 14 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.394

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Surrounding area

Pocket 3 P2Rank #3

0.086

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Surrounding area

Pocket 4 P2Rank #4

0.066

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Surrounding area

Pocket 5 P2Rank #5

0.053

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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1

0.561

Likely same site as P2Rank 1 1.4 Å 14 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #7

0.513

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Surrounding area

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.884

Likely same site as FPocket 1 3.8 Å 13 shared residues 87% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.231

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Surrounding area

Pocket 3 P2Rank #3

0.103

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Surrounding area

Pocket 4 P2Rank #4

0.079

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Surrounding area

Pocket 5 P2Rank #5

0.071

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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1

0.588

Likely same site as P2Rank 1 3.8 Å 13 shared residues 87% of smaller site

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Surrounding area

Pocket 2 FPocket #11

0.407

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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_A0A0H3GT40	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_4111	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.

63 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 13 records from similar proteins

Structural ligands 13 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

30Q PDB via homolog 457.7 Da · LogP 5.33 · TPSA 63.2 Open detail RCSB PDB

9CA PDB via homolog Detail RCSB PDB

9FL PDB via homolog Detail RCSB PDB

9G0 PDB via homolog Detail RCSB PDB

BPY 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
30Q RCSB PDB	4QDF	F1CMX0	457.7 Da LogP 5.33 TPSA 63.2	1 viol.	✓ Clean	`CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(…`
9CA RCSB PDB	2DE7	Q84II6	167.2 Da LogP 3.32 TPSA 15.8	✓ Ro5	✓ Clean	`c1ccc2c(c1)c3ccccc3[nH]2`
9FL RCSB PDB	4NBE	Q84II6	166.2 Da LogP 3.26 TPSA 0.0	✓ Ro5	✓ Clean	`c1ccc-2c(c1)Cc3c2cccc3`
9G0 RCSB PDB	6LL4	Q84II6	201.2 Da LogP 2.35 TPSA 66.5	✓ Ro5	Alert	`c1ccc(c(c1)c2cccc(c2O)O)N`
BPY RCSB PDB	6LLH	Q84II6	186.2 Da LogP 2.76 TPSA 40.5	✓ Ro5	Alert	`c1ccc(cc1)c2cccc(c2O)O`
D3M RCSB PDB	3GB4	Q5S3I3	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(ccc(c1C(=O)O)Cl)Cl`
EHX RCSB PDB	6LL4	Q84II6	201.2 Da LogP 2.64 TPSA 41.5	✓ Ro5	✓ Clean	`c1ccc2c(c1)C3=CC=CC[C@@]3(N2)OO`
FES RCSB PDB	1WW9	Q84II6	175.8 Da LogP 1.29 TPSA 0.0	✓ Ro5	✓ Clean	`S1[Fe]S[Fe]1`
HXX RCSB PDB	3GOB	Q5S3I3	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`c1cc(c(c(c1Cl)C(=O)O)O)Cl`
MXE RCSB PDB	7BUG	Q84II6	76.1 Da LogP -0.37 TPSA 29.5	✓ Ro5	✓ Clean	`COCCO`
OXY RCSB PDB	3VMH	Q84II6	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`O=O`
PG0 RCSB PDB	7BUG	Q84II6	120.1 Da LogP -0.36 TPSA 38.7	✓ Ro5	✓ Clean	`COCCOCCO`
WBP RCSB PDB	6LLF	Q84II6	202.2 Da LogP 2.47 TPSA 60.7	✓ Ro5	Alert	`c1ccc(c(c1)c2cccc(c2O)O)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
ZINC12501520 ZINC	1.000	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC126322 ZINC	1.000	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(Cl)c1C(=O)O`
ZINC1580161 ZINC	1.000	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118 ZINC	1.000	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257 ZINC	1.000	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC2026917 ZINC	1.000	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(Cl)c1O`
ZINC34317654 ZINC	1.000	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
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`
ZINC44076059 ZINC	1.000	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4521548 ZINC	1.000	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
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`
ZINC5210101 ZINC	1.000	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5997860 ZINC	1.000	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC6091722 ZINC	0.824	218.2 Da LogP 2.18 TPSA 80.9	✓ Ro5	Alert	`Oc1cccc(-c2cccc(O)c2O)c1O`
ZINC1841232 ZINC	0.800	246.3 Da LogP 4.73 TPSA 20.2	✓ Ro5	✓ Clean	`Oc1c(-c2ccccc2)cccc1-c1ccccc1`
ZINC93099 ZINC	0.786	216.6 Da LogP 2.06 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(Cl)c(OC)c1C(=O)O`
ZINC1671067 ZINC	0.778	256.3 Da LogP 4.96 TPSA 31.6	✓ Ro5	✓ Clean	`c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13`
ZINC59200446 ZINC	0.778	254.3 Da LogP 4.83 TPSA 0.0	✓ Ro5	✓ Clean	`c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1ccccc1-3`
ZINC49582089 ZINC	0.759	202.6 Da LogP 1.75 TPSA 66.8	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(O)c1C(=O)O`
ZINC16697844 ZINC	0.737	256.3 Da LogP 4.96 TPSA 31.6	✓ Ro5	✓ Clean	`c1ccc2c(c1)[nH]c1cc3[nH]c4ccccc4c3cc12`
ZINC169795993 ZINC	0.733	265.5 Da LogP 2.81 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Br)ccc(Cl)c1C(=O)O`
ZINC212331071 ZINC	0.733	204.6 Da LogP 2.19 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(F)c1C(=O)O`
ZINC575419714 ZINC	0.727	312.4 Da LogP 0.42 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCSCCOCCOCCO`
ZINC5784437 ZINC	0.714	235.0 Da LogP 2.39 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(Cl)c1C(=O)O`
ZINC115163232 ZINC	0.700	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCCO`
ZINC258837490 ZINC	0.700	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCCO`
ZINC258837921 ZINC	0.692	251.5 Da LogP 2.51 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(Br)c1O`
ZINC258839917 ZINC	0.692	251.5 Da LogP 2.51 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1c(Br)ccc(Cl)c1O`
ZINC2516178 ZINC	0.690	235.1 Da LogP 2.79 TPSA 35.5	✓ Ro5	✓ Clean	`COC(=O)c1c(Cl)ccc(Cl)c1OC`
ZINC115086873 ZINC	0.688	209.2 Da LogP -1.08 TPSA 83.2	✓ Ro5	✓ Clean	`NOCCOCCOCCOCCO`
ZINC137432264 ZINC	0.688	457.6 Da LogP -0.91 TPSA 129.3	1 viol.	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC146143823 ZINC	0.688	237.3 Da LogP -1.00 TPSA 83.2	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCO`
ZINC1542984442 ZINC	0.688	413.5 Da LogP -0.93 TPSA 120.1	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC1565503710 ZINC	0.688	254.3 Da LogP -0.03 TPSA 57.2	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCS`
ZINC1692489 ZINC	0.688	222.3 Da LogP 0.33 TPSA 46.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOC`
ZINC1857792028 ZINC	0.688	430.6 Da LogP 0.04 TPSA 94.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC1857792057 ZINC	0.688	474.6 Da LogP 0.06 TPSA 103.3	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC230494776 ZINC	0.688	325.4 Da LogP -0.96 TPSA 101.6	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCO`
ZINC38917157 ZINC	0.688	210.3 Da LogP -0.04 TPSA 47.9	✓ Ro5	✓ Clean	`OCCOCCOCCOCCS`
ZINC4530388 ZINC	0.688	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5650743 ZINC	0.688	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC5701172 ZINC	0.688	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5997861 ZINC	0.688	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`
ZINC6403917 ZINC	0.688	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC77271182 ZINC	0.688	281.3 Da LogP -0.98 TPSA 92.4	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCO`
ZINC83253921 ZINC	0.688	369.5 Da LogP -0.95 TPSA 110.9	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC90741446 ZINC	0.688	386.5 Da LogP 0.02 TPSA 84.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCS`
ZINC90741447 ZINC	0.688	298.4 Da LogP -0.01 TPSA 66.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCS`

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.

Sequence

UniProt A0A0H3GT40