Genome KpKP13

Protein target profile

Multiple antibiotic resistance protein marR

Accession: KP13_05275

Gene: marR AHE44682.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GT75

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Length 144

Pocket druggability (P2Rank · AlphaFold DB model) 0.019

Direct ligand evidence 0 64 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.76. This is a computational pocket signal, not binding validation. 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: 1.3% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 84.028 Higher values support similarity to known essential genes.
DEG E-value: 5.3199999999999995e-89 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 90.95 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) 0.019

Structure A0A0H3GT75

Pocket Pocket 1

Druggability (FPocket) 0.755

Structure A0A0H3GT75

Pocket Pocket 2

ColabFold model

P2Rank 0.045 · Pocket 1

FPocket 0.699 · Pocket 9

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 61 / 4744 genomes with a hit

Prevalence 1.3%

Cross-references

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

Sequence

UniProt A0A0H3GT75

Sequence

Primary amino-acid sequence viewer.

MKSTSDLFNEMIPLGRLIQMVNQKKDRLLNDYLSPMDITATQFRVLCSIRCEVCITPVELKTVLSVDPGAMTRMLDRLACKGWIERLPNPADKRGVLVQLTPDGAALCEQCHQVVGQKLHQELTKNLSADEVAMLEQLLKKVLP

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization: Cytoplasmic

Gene Ontology (GO)

GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0006950 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 disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

22 records

Show feature table

Start	End	DB	Term	Name
31	132	SMART	SM00347	marrlong4
31	132	InterPro	IPR000835	MarR-type HTH domain
6	142	SUPERFAMILY	SSF46785	Winged helix DNA-binding domain
6	142	InterPro	IPR036390	Winged helix DNA-binding domain superfamily
38	96	Pfam	PF01047	MarR family
38	96	InterPro	IPR000835	MarR-type HTH domain
70	104	ProSitePatterns	PS01117	MarR-type HTH domain signature.
70	104	InterPro	IPR023187	Transcriptional regulator MarR-type, conserved site
7	142	PANTHER	PTHR33164	TRANSCRIPTIONAL REGULATOR, MARR FAMILY
7	142	InterPro	IPR039422	Transcription regulators MarR/SlyA-like
7	144	Gene3D	G3DSA:1.10.10.10	-
7	144	InterPro	IPR036388	Winged helix-like DNA-binding domain superfamily
11	144	ProSiteProfiles	PS50995	MarR-type HTH domain profile.
11	144	InterPro	IPR000835	MarR-type HTH domain
91	107	PRINTS	PR00598	Bacterial regulatory protein MarR family signature
91	107	InterPro	IPR000835	MarR-type HTH domain
72	87	PRINTS	PR00598	Bacterial regulatory protein MarR family signature
72	87	InterPro	IPR000835	MarR-type HTH domain
122	142	PRINTS	PR00598	Bacterial regulatory protein MarR family signature
122	142	InterPro	IPR000835	MarR-type HTH domain
55	71	PRINTS	PR00598	Bacterial regulatory protein MarR family signature
55	71	InterPro	IPR000835	MarR-type HTH 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

0.019

Show in viewer

Surrounding area

Pocket 2 P2Rank #2

0.011

Show in viewer

Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #2

0.755

Show in viewer

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_A0A0H3GT75	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_05275	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.

64 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 14 records from similar proteins

Structural ligands 14 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

3IB PDB via homolog 203.2 Da · LogP 2.58 · TPSA 53.1 Open detail RCSB PDB

BEZ PDB via homolog Detail RCSB PDB

CAQ PDB via homolog Detail RCSB PDB

CFA PDB via homolog Detail RCSB PDB

DHB 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
3IB RCSB PDB	7KIG	C5CSP2	203.2 Da LogP 2.58 TPSA 53.1	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)CCCC(=O)O`
BEZ RCSB PDB	7KFS	C5CSP2	122.1 Da LogP 1.38 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)C(=O)O`
CAQ RCSB PDB	7KK0	C5CSP2	110.1 Da LogP 1.10 TPSA 40.5	✓ Ro5	Alert	`c1ccc(c(c1)O)O`
CFA RCSB PDB	7KKI	C5CSP2	221.0 Da LogP 2.46 TPSA 46.5	✓ Ro5	✓ Clean	`c1cc(c(cc1Cl)Cl)OCC(=O)O`
DHB RCSB PDB	4RGX	Q7X0D9	154.1 Da LogP 0.80 TPSA 77.8	✓ Ro5	Alert	`c1cc(c(cc1C(=O)O)O)O`
FER RCSB PDB	4RGU	Q7X0D9	194.2 Da LogP 1.50 TPSA 66.8	✓ Ro5	✓ Clean	`COc1cc(ccc1O)\C=C\C(=O)O`
HC4 RCSB PDB	4RGR	Q7X0D9	164.2 Da LogP 1.49 TPSA 57.5	✓ Ro5	✓ Clean	`c1cc(ccc1/C=C/C(=O)O)O`
HID RCSB PDB	7KKC	C5CSP2	191.2 Da LogP 1.50 TPSA 73.3	✓ Ro5	✓ Clean	`c1cc2c(cc1O)c(c[nH]2)CC(=O)O`
IAC RCSB PDB	7KFO	C5CSP2	175.2 Da LogP 1.79 TPSA 53.1	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)CC(=O)O`
ICO RCSB PDB	7KFQ	C5CSP2	161.2 Da LogP 1.87 TPSA 53.1	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)C(=O)O`
IOP RCSB PDB	7KH3	C5CSP2	189.2 Da LogP 2.19 TPSA 53.1	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(c[nH]2)CCC(=O)O`
SAL RCSB PDB	3DEU	P40676	138.1 Da LogP 1.09 TPSA 57.5	✓ Ro5	✓ Clean	`c1ccc(c(c1)C(=O)O)O`
V55 RCSB PDB	4RGS	Q7X0D9	152.1 Da LogP 1.21 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(ccc1O)C=O`
WOM RCSB PDB	7KJQ	C5CSP2	241.5 Da LogP 2.32 TPSA 76.2	✓ Ro5	✓ Clean	`c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N`

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
ZINC1237662 ZINC	1.000	241.5 Da LogP 2.32 TPSA 76.2	✓ Ro5	✓ Clean	`Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl`
ZINC57143 ZINC	1.000	221.0 Da LogP 2.46 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(Cl)cc1Cl`
ZINC57378 ZINC	1.000	203.2 Da LogP 2.58 TPSA 53.1	✓ Ro5	✓ Clean	`O=C(O)CCCc1c[nH]c2ccccc12`
ZINC2566960 ZINC	0.909	231.3 Da LogP 3.36 TPSA 53.1	✓ Ro5	✓ Clean	`O=C(O)CCCCCc1c[nH]c2ccccc12`
ZINC37632578 ZINC	0.909	217.3 Da LogP 2.97 TPSA 53.1	✓ Ro5	✓ Clean	`O=C(O)CCCCc1c[nH]c2ccccc12`
ZINC37632580 ZINC	0.909	245.3 Da LogP 3.75 TPSA 53.1	✓ Ro5	✓ Clean	`O=C(O)CCCCCCc1c[nH]c2ccccc12`
ZINC16951469 ZINC	0.810	218.2 Da LogP 1.88 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)/C=C\c1ccc(/C=C\C(=O)O)cc1`
ZINC1857742971 ZINC	0.810	218.2 Da LogP 1.88 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)C=Cc1ccc(C=CC(=O)O)cc1`
ZINC225518 ZINC	0.810	218.2 Da LogP 1.88 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)/C=C/c1ccc(/C=C/C(=O)O)cc1`
ZINC4972290 ZINC	0.810	218.2 Da LogP 1.88 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)/C=C\c1ccc(/C=C/C(=O)O)cc1`
ZINC118075337 ZINC	0.788	347.6 Da LogP 4.90 TPSA 55.8	✓ Ro5	✓ Clean	`O=C(O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl`
ZINC32104 ZINC	0.771	202.3 Da LogP 1.98 TPSA 58.9	✓ Ro5	✓ Clean	`NC(=O)CCCc1c[nH]c2ccccc12`
ZINC13511212 ZINC	0.769	342.3 Da LogP 3.38 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2cc(/C=C/C(=O)O)cc(OC)c2O)ccc1O`
ZINC1532617 ZINC	0.767	203.2 Da LogP 1.36 TPSA 70.2	✓ Ro5	✓ Clean	`O=C(O)C(=O)Cc1c[nH]c2ccccc12`
ZINC84689016 ZINC	0.767	203.2 Da LogP 1.16 TPSA 70.2	✓ Ro5	✓ Clean	`O=C(O)Cc1c[nH]c2ccccc2c1=O`
ZINC534637094 ZINC	0.765	267.3 Da LogP 3.17 TPSA 73.3	✓ Ro5	✓ Clean	`O=C(O)Cc1c[nH]c2ccc(-c3ccc(O)cc3)cc12`
ZINC116202 ZINC	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C/C(=O)O)cc1OC`
ZINC1857775664 ZINC	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(C=CC(=O)O)cc1OC`
ZINC6007189 ZINC	0.758	208.2 Da LogP 1.80 TPSA 55.8	✓ Ro5	✓ Clean	`COc1ccc(/C=C\C(=O)O)cc1OC`
ZINC142868 ZINC	0.750	265.5 Da LogP 2.57 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(Cl)cc1Br`
ZINC12358996 ZINC	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C\c1ccc(O)c(OC)c1`
ZINC1621053 ZINC	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)/C=C/c1ccc(O)c(OC)c1`
ZINC17255287 ZINC	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC1857743026 ZINC	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O`
ZINC1903846672 ZINC	0.743	208.2 Da LogP 1.59 TPSA 55.8	✓ Ro5	✓ Clean	`COC(=O)C=Cc1ccc(O)c(OC)c1`
ZINC31261437 ZINC	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc…`
ZINC5784649 ZINC	0.743	278.1 Da LogP 1.57 TPSA 75.6	✓ Ro5	✓ Clean	`O=C(O)CNC(=O)COc1ccc(Cl)cc1Cl`
ZINC899824 ZINC	0.743	368.4 Da LogP 3.37 TPSA 93.1	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc…`
ZINC5105069 ZINC	0.742	221.0 Da LogP 2.46 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1cc(Cl)ccc1Cl`
ZINC2382319826 ZINC	0.737	364.4 Da LogP 3.13 TPSA 115.4	✓ Ro5	✓ Clean	`O=C(O)Cc1c[nH]c2ccc(OC(=O)Cc3c[nH]c4ccc(O)cc34)…`
ZINC100067274 ZINC	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC104896565 ZINC	0.730	368.4 Da LogP 3.85 TPSA 96.2	✓ Ro5	✓ Clean	`COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)cc…`
ZINC8879429 ZINC	0.725	260.3 Da LogP 1.69 TPSA 82.2	✓ Ro5	✓ Clean	`O=C(O)CNC(=O)CCCc1c[nH]c2ccccc12`
ZINC142359 ZINC	0.724	221.3 Da LogP 3.40 TPSA 32.9	✓ Ro5	✓ Clean	`O=C(c1ccccc1)c1c[nH]c2ccccc12`
ZINC150743 ZINC	0.719	219.1 Da LogP 2.96 TPSA 26.3	✓ Ro5	✓ Clean	`CC(=O)COc1ccc(Cl)cc1Cl`
ZINC1601873 ZINC	0.719	260.6 Da LogP 1.27 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(OCC(=O)O)c(Cl)c1`
ZINC51195 ZINC	0.719	220.1 Da LogP 1.86 TPSA 52.3	✓ Ro5	✓ Clean	`NC(=O)COc1ccc(Cl)cc1Cl`
ZINC71250382 ZINC	0.719	202.6 Da LogP 1.51 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(O)cc1Cl`
ZINC75880727 ZINC	0.719	204.6 Da LogP 1.94 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(Cl)cc1F`
ZINC85223864 ZINC	0.719	202.6 Da LogP 1.51 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)COc1ccc(Cl)cc1O`
ZINC1675321 ZINC	0.714	274.2 Da LogP 1.57 TPSA 115.1	✓ Ro5	Alert	`O=C(C(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1`
ZINC185070 ZINC	0.714	272.3 Da LogP 3.29 TPSA 58.9	✓ Ro5	✓ Clean	`COc1cc(/C=C/c2ccc(O)c(OC)c2)ccc1O`
ZINC3921800 ZINC	0.711	254.3 Da LogP 3.30 TPSA 46.5	✓ Ro5	✓ Clean	`COc1cc(/C=C/C(=O)c2ccccc2)ccc1O`
ZINC13378222 ZINC	0.708	266.3 Da LogP 3.39 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(O)cc1)/C=C\c1ccc(O)cc1`
ZINC34530182 ZINC	0.708	294.3 Da LogP 3.55 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)O)cc2)cc1`
ZINC34606256 ZINC	0.708	266.3 Da LogP 3.39 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(/C=C\c1ccc(O)cc1)/C=C/c1ccc(O)cc1`
ZINC6092599 ZINC	0.708	266.3 Da LogP 3.39 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1`
ZINC57380 ZINC	0.706	232.2 Da LogP 0.91 TPSA 82.2	✓ Ro5	✓ Clean	`O=C(O)CNC(=O)Cc1c[nH]c2ccccc12`
ZINC19791604 ZINC	0.704	240.5 Da LogP 1.72 TPSA 82.0	✓ Ro5	✓ Clean	`NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl`
ZINC2040417310 ZINC	0.703	208.2 Da LogP 1.89 TPSA 66.8	✓ Ro5	✓ Clean	`CCOc1cc(C=CC(=O)O)ccc1O`

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.