KpATCC43816 Protein target profile

rieske [2Fe-2S] domain protein

Accession: VK055_0826

Gene: AIK79449.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GPR1

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Length 345

Pocket druggability (P2Rank · AlphaFold DB model) 0.954

Direct ligand evidence 0 58 total records

Functional annotation 0 EC 3 GO

Target summary

Strong target candidate with converging metabolic, structural and chemical evidence.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.95, FPocket 0.92). Use the 3D pocket comparison to verify whether they identify the same site. 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. Strong predicted binding pocket FPocket selected-pocket score 0.92. This is a computational pocket signal, not binding validation. 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: 0.7% 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.

Structure confidence

ColabFold pLDDT: 93.76 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) 0.954

Structure A0A0H3GPR1

Pocket Pocket 1

Druggability (FPocket) 0.92

Structure A0A0H3GPR1

Pocket Pocket 4

ColabFold model

P2Rank 0.947 · Pocket 1

FPocket 0.972 · Pocket 21

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 34 / 4744 genomes with a hit

Prevalence 0.7%

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.

MKTTTPTPPAHCTFDPEDWLRLARCWHPVARACDIAGAPVKATLLDEQLVIYRIKGQVVVARDVCPHRGVPLTLGFHEEEGIVCPYHGLRFGEDGRCNRIPSSPGQPIPAKLHLTSFAVEERYGLIWTCLACDPDNPPPLPTMPHWDDAGFQQINCPAFEVKGFAGRQVEGFLDVAHFAWIHTDTFADPDNQQVPDYTPQETPFGFVADYWSSVGNYPASSDFRAPEGFQWLRHFEMHLPFTATLTIHFPADARLVIMNAASPVSSRVTRMFAPIARNFDLHVPVEDVHAFNLRVFEEDRLMVETQRPERLPLDLTLEAHIPADRSSIAYRRGLKKMGFGDFFLV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 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:0005506 Binding to an iron (Fe) ion.
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
170	337	Pfam	PF19112	Vanillate O-demethylase oxygenase C-terminal domain
170	337	InterPro	IPR044043	Vanillate O-demethylase oxygenase-like, C-terminal catalytic domain
26	135	CDD	cd03469	Rieske_RO_Alpha_N
65	87	ProSitePatterns	PS00570	Bacterial ring hydroxylating dioxygenases alpha-subunit signature.
65	87	InterPro	IPR015881	Aromatic-ring-hydroxylating dioxygenase, 2Fe-2S-binding site
152	338	Gene3D	G3DSA:3.90.380.10	-
19	336	PANTHER	PTHR21266	IRON-SULFUR DOMAIN CONTAINING PROTEIN
133	338	SUPERFAMILY	SSF55961	Bet v1-like
14	134	SUPERFAMILY	SSF50022	ISP domain
14	134	InterPro	IPR036922	Rieske [2Fe-2S] iron-sulphur domain superfamily
20	146	Gene3D	G3DSA:2.102.10.10	-
20	146	InterPro	IPR036922	Rieske [2Fe-2S] iron-sulphur domain superfamily
26	128	ProSiteProfiles	PS51296	Rieske [2Fe-2S] iron-sulfur domain profile.
26	128	InterPro	IPR017941	Rieske [2Fe-2S] iron-sulphur domain
26	104	Pfam	PF00355	Rieske [2Fe-2S] domain
26	104	InterPro	IPR017941	Rieske [2Fe-2S] iron-sulphur 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

0.954

Likely same site as FPocket 4 3.6 Å 17 shared residues 89% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.606

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Surrounding area

Pocket 3 P2Rank #3

0.197

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Surrounding area

Pocket 4 P2Rank #4

0.102

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Surrounding area

Pocket 5 P2Rank #5

0.049

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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 #4

0.92

Likely same site as P2Rank 1 3.6 Å 17 shared residues 89% of smaller site

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Surrounding area

Pocket 2 FPocket #13

0.331

Likely same site as P2Rank 1 6.7 Å 14 shared residues 93% of smaller site

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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

0.947

Likely same site as FPocket 21 3.0 Å 27 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.655

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Surrounding area

Pocket 3 P2Rank #3

0.126

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Surrounding area

Pocket 4 P2Rank #4

0.073

Likely same site as FPocket 21 7.4 Å 8 shared residues 89% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.049

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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_A0A0H3GPR1	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_0826	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.

58 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 8 records from similar proteins

Structural ligands 8 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

37T PDB via homolog 180.2 Da · LogP -1.04 · TPSA 72.7 Open detail RCSB PDB

CFF PDB via homolog Detail RCSB PDB

D3M PDB via homolog Detail RCSB PDB

FES PDB via homolog Detail RCSB PDB

HXX 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
37T RCSB PDB	6ICQ	H9N289	180.2 Da LogP -1.04 TPSA 72.7	✓ Ro5	✓ Clean	`Cn1cnc2c1C(=O)NC(=O)N2C`
CFF RCSB PDB	6ICN	H9N289	194.2 Da LogP -1.03 TPSA 61.8	✓ Ro5	✓ Clean	`Cn1cnc2c1C(=O)N(C(=O)N2C)C`
D3M RCSB PDB	3GB4	Q5S3I3	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(ccc(c1C(=O)O)Cl)Cl`
FES RCSB PDB	6WNC	C3RVP5	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`
OXY RCSB PDB	3GKE	Q5S3I3	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`O=O`
TEP RCSB PDB	6ICO	H9N289	180.2 Da LogP -1.04 TPSA 72.7	✓ Ro5	✓ Clean	`CN1c2c([nH]cn2)C(=O)N(C1=O)C`
U5A RCSB PDB	6WND	C3RVP5	267.3 Da LogP -1.72 TPSA 139.4	1 viol.	✓ Clean	`[H]/N=C\1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)…`

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
ZINC126322 ZINC	1.000	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(Cl)c1C(=O)O`
ZINC2026917 ZINC	1.000	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(Cl)c1O`
ZINC93099 ZINC	0.786	216.6 Da LogP 2.06 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(Cl)c(OC)c1C(=O)O`
ZINC49582089 ZINC	0.759	202.6 Da LogP 1.75 TPSA 66.8	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(O)c1C(=O)O`
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`
ZINC13209773 ZINC	0.724	210.3 Da LogP 0.34 TPSA 44.8	✓ Ro5	✓ Clean	`Cn1c(=S)c2c(ncn2C)n(C)c1=O`
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`
ZINC13212548 ZINC	0.710	222.2 Da LogP 0.01 TPSA 61.8	✓ Ro5	✓ Clean	`CC(C)n1c(=O)n(C)c(=O)c2c1ncn2C`
ZINC1090002 ZINC	0.700	386.4 Da LogP -2.12 TPSA 123.6	1 viol.	✓ Clean	`Cn1cnc2c1c(=O)n(CCn1c(=O)c3c(ncn3C)n(C)c1=O)c(=…`
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`
ZINC13212541 ZINC	0.688	208.2 Da LogP -0.55 TPSA 61.8	✓ Ro5	✓ Clean	`CCn1c(=O)n(C)c(=O)c2c1ncn2C`
ZINC93126 ZINC	0.679	251.1 Da LogP 2.71 TPSA 55.8	✓ Ro5	✓ Clean	`COc1c(Cl)cc(Cl)c(OC)c1C(=O)O`
ZINC34090877 ZINC	0.677	372.3 Da LogP -2.31 TPSA 123.6	1 viol.	✓ Clean	`Cn1cnc2c1c(=O)n(Cn1c(=O)c3c(ncn3C)n(C)c1=O)c(=O…`
ZINC1090003 ZINC	0.667	386.4 Da LogP -2.12 TPSA 123.6	1 viol.	✓ Clean	`Cn1c(=O)c2c(ncn2CCn2cnc3c2c(=O)n(C)c(=O)n3C)n(C…`
ZINC12405449 ZINC	0.667	222.2 Da LogP -0.16 TPSA 61.8	✓ Ro5	✓ Clean	`CCCn1c(=O)n(C)c(=O)c2c1ncn2C`
ZINC9975012 ZINC	0.656	400.4 Da LogP -1.73 TPSA 123.6	1 viol.	✓ Clean	`Cn1cnc2c1c(=O)n(CCCn1c(=O)c3c(ncn3C)n(C)c1=O)c(…`
ZINC12604163 ZINC	0.649	400.4 Da LogP -1.73 TPSA 123.6	1 viol.	✓ Clean	`Cn1c(=O)c2c(ncn2CCCn2c(=O)c3c(ncn3C)n(C)c2=O)n(…`
ZINC13212543 ZINC	0.647	224.2 Da LogP -1.57 TPSA 82.1	✓ Ro5	✓ Clean	`Cn1c(=O)c2c(ncn2C)n(CCO)c1=O`
ZINC13212557 ZINC	0.647	236.3 Da LogP 0.23 TPSA 61.8	✓ Ro5	✓ Clean	`CCCCn1c(=O)n(C)c(=O)c2c1ncn2C`
ZINC13212561 ZINC	0.647	236.3 Da LogP 0.09 TPSA 61.8	✓ Ro5	✓ Clean	`CC(C)Cn1c(=O)n(C)c(=O)c2c1ncn2C`
ZINC18816333 ZINC	0.645	222.2 Da LogP 0.01 TPSA 61.8	✓ Ro5	✓ Clean	`CC(C)n1cnc2c1c(=O)n(C)c(=O)n2C`
ZINC13284606 ZINC	0.636	222.2 Da LogP -0.16 TPSA 61.8	✓ Ro5	✓ Clean	`CCCn1c(=O)c2c(ncn2C)n(C)c1=O`
ZINC1666589 ZINC	0.629	250.3 Da LogP 0.48 TPSA 61.8	✓ Ro5	✓ Clean	`CC(C)CCn1c(=O)c2c(ncn2C)n(C)c1=O`
ZINC224909 ZINC	0.629	208.2 Da LogP -0.17 TPSA 72.7	✓ Ro5	✓ Clean	`CCCn1cnc2c1c(=O)[nH]c(=O)n2C`
ZINC1069064 ZINC	0.625	400.4 Da LogP -1.73 TPSA 123.6	1 viol.	✓ Clean	`Cn1c(=O)c2c(ncn2CCCn2cnc3c2c(=O)n(C)c(=O)n3C)n(…`
ZINC15865845 ZINC	0.625	208.2 Da LogP -0.55 TPSA 61.8	✓ Ro5	✓ Clean	`CCn1cnc2c1c(=O)n(C)c(=O)n2C`
ZINC1849975 ZINC	0.625	225.5 Da LogP 3.35 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(Cl)c1Cl`
ZINC20593730 ZINC	0.625	223.0 Da LogP 2.10 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(O)c1c(O)c(Cl)cc(Cl)c1O`
ZINC37866048 ZINC	0.625	414.4 Da LogP -1.34 TPSA 123.6	1 viol.	✓ Clean	`Cn1c(=O)c2c(ncn2CCCCn2cnc3c2c(=O)n(C)c(=O)n3C)n…`
ZINC15909445 ZINC	0.622	242.2 Da LogP 0.41 TPSA 72.7	✓ Ro5	✓ Clean	`Cn1c(=O)c2[nH]cnc2n(-c2ccccc2)c1=O`
ZINC3861807 ZINC	0.622	222.2 Da LogP 0.08 TPSA 72.7	✓ Ro5	✓ Clean	`CC(C)Cn1c(=O)n(C)c(=O)c2[nH]cnc21`
ZINC485783 ZINC	0.622	237.3 Da LogP -1.02 TPSA 75.9	✓ Ro5	✓ Clean	`CN(C)CCn1c(=O)c2[nH]cnc2n(C)c1=O`
ZINC2918225 ZINC	0.618	279.1 Da LogP 2.24 TPSA 72.8	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(Cl)c1C(=O)OCC(=O)O`
ZINC36056255 ZINC	0.615	207.0 Da LogP 2.40 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1c(Cl)ccc(O)c1Cl`
ZINC2038718 ZINC	0.613	255.5 Da LogP 3.35 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Cl)cc(Cl)c(Cl)c1C(=O)O`
ZINC212303686 ZINC	0.613	202.6 Da LogP 1.75 TPSA 66.8	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(C(=O)O)c1O`
ZINC35065830 ZINC	0.613	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(C(=O)O)c1Cl`
ZINC85210443 ZINC	0.613	221.0 Da LogP 2.70 TPSA 46.5	✓ Ro5	✓ Clean	`COc1ccc(Cl)c(C(=O)O)c1Cl`
ZINC13216239 ZINC	0.611	234.3 Da LogP 0.18 TPSA 61.8	✓ Ro5	✓ Clean	`C=C[C@H](C)n1c(=O)c2c(ncn2C)n(C)c1=O`
ZINC13283559 ZINC	0.611	234.3 Da LogP 0.18 TPSA 61.8	✓ Ro5	✓ Clean	`C=C[C@@H](C)n1c(=O)c2c(ncn2C)n(C)c1=O`
ZINC266363 ZINC	0.606	206.2 Da LogP -0.47 TPSA 61.8	✓ Ro5	✓ Clean	`C=Cn1cnc2c1c(=O)n(C)c(=O)n2C`
ZINC380547 ZINC	0.606	222.2 Da LogP -0.16 TPSA 61.8	✓ Ro5	✓ Clean	`CCCn1cnc2c1c(=O)n(C)c(=O)n2C`
ZINC94778 ZINC	0.606	262.1 Da LogP 3.14 TPSA 38.3	✓ Ro5	✓ Clean	`COc1c(Cl)ccc(Cl)c1C(=O)NC(C)C`
ZINC95915995 ZINC	0.606	249.1 Da LogP 3.18 TPSA 35.5	✓ Ro5	✓ Clean	`CCOC(=O)c1c(Cl)ccc(Cl)c1OC`
ZINC164509468 ZINC	0.605	238.2 Da LogP -1.10 TPSA 110.0	✓ Ro5	✓ Clean	`Cn1c(=O)n(CCC(=O)O)c(=O)c2[nH]cnc21`
ZINC485643 ZINC	0.605	237.3 Da LogP -1.02 TPSA 75.9	✓ Ro5	✓ Clean	`CN(C)CCn1c(=O)[nH]c(=O)c2c1ncn2C`
ZINC5491033 ZINC	0.605	237.3 Da LogP -1.02 TPSA 75.9	✓ Ro5	✓ Clean	`CN(C)CCn1c(=O)n(C)c(=O)c2[nH]cnc21`

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 A0A0H3GPR1