KpKP13 Protein target profile

DNA polymerase II

Accession: KP13_01945

Gene: polB AHE46384.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GI42

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Length 785

Pocket druggability (P2Rank · AlphaFold DB model) 0.337

Direct ligand evidence 0 64 total records

Functional annotation 1 EC 7 GO

Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

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. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 14 structural and 0 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 (%): 27.636 Lower values reduce human off-target concern.
Human E-value: 1.95e-08
Gut microbiome similarity: 2.7% 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: 93.5 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) 0.337

Structure A0A0H3GI42

Pocket Pocket 1

Druggability (FPocket) 0.325

Structure A0A0H3GI42

Pocket Pocket 60

ColabFold model

P2Rank 0.606 · Pocket 1

FPocket 0.651 · Pocket 48

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 130 / 4744 genomes with a hit

Prevalence 2.7%

Sequence

Primary amino-acid sequence viewer.

MTQPRAGFLLTRHWRDTPQGTELSFWLATDDGPLQVTLPPQESVAFIPEAQRAQAERLLQGEKGLRFAPLALKDFHRQPIVGLYCRAHRQLMRLEKMLRDSGVTVYEGDIRPPERYLMERFITAPVWVEGETRGSQLVNARMKPNPDYRPPLKWVSLDIETSRHGELYCIGLEGCGQRVVYMLGPEPETPPDVDFELVFIASRPLLLEKLNAWFAEHDPDVLIGWNVVQFDLRVLQKHAERYRIPLRLGRGNSELEWREHGFKNGVFFAQANGRLIIDGIDALKSAFWNFSSFSLEAVARELLGEGKAIDNPWDRMDEIDRRFHEDKPALAIYNLQDCELVTRIFHKTEIMPFLLERATVNGLPADRHGGSVAAFSHLYFPRMHRLGYVAPNLGDVPPQASPGGYVMDSRPGLYDSVLVLDYKSLYPSIIRTFLIDPVGLVEGLAQPDDQHSIEGFLGARFSRDKHCLPGIVSQIWHGRDEAKRQHNKPLSQALKIIMNAFYGVLGTSACRFFDPRLASSITMRGHAIMRQTKALIEAKGYDVIYGDTDSTFVWLKRPHSEAQAAEIGRELVSDVNAWWAQELSKSQLTSALELEYETHFCRFLMPTIRGADTGSKKRYAGMIQEGDAQRMVFKGLETVRTDWTPLAQQFQQELYLRIFRNQPYQDYVRETIARLMNGELDEQLVYRKRLRRPLAEYQRNVPPHVRAARLADEHNLKLGRAQQYQQRGTIKYVWTTSGPEPVDYQQSPLDYDHYLTKQLQPVAEGILPFVNDDFATIVTGQLGLF

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Subcellular localization

Localization: Cytoplasmic

Enzyme Commission (EC)

2.7.7.7

Gene Ontology (GO)

GO:0003676 Binding to a nucleic acid.
GO:0003887 Catalysis of the reaction: deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1); DNA-template-directed extension of the 3'-end of a DNA strand by one nucleotide at a time.
GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0008296 Catalysis of the sequential cleavage of mononucleotides from a free 3' terminus of a DNA molecule.
GO:0045004 Correction of replication errors by DNA polymerase using a 3'-5' exonuclease activity.
GO:0009432 An error-prone process for repairing damaged microbial DNA.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

38 records

Show feature table

Start	End	DB	Term	Name
2	46	FunFam	G3DSA:2.40.50.590:FF:000001	DNA polymerase
350	448	Gene3D	G3DSA:3.90.1600.10	Palm domain of DNA polymerase
350	448	InterPro	IPR023211	DNA polymerase, palm domain superfamily
449	640	Gene3D	G3DSA:3.90.1600.10	Palm domain of DNA polymerase
449	640	InterPro	IPR023211	DNA polymerase, palm domain superfamily
2	80	Gene3D	G3DSA:2.40.50.590	-
91	152	Gene3D	G3DSA:2.40.50.590	-
383	433	Pfam	PF00136	DNA polymerase family B
383	433	InterPro	IPR006134	DNA-directed DNA polymerase, family B, multifunctional domain
491	740	Pfam	PF00136	DNA polymerase family B
491	740	InterPro	IPR006134	DNA-directed DNA polymerase, family B, multifunctional domain
206	298	Pfam	PF03104	DNA polymerase family B, exonuclease domain
206	298	InterPro	IPR006133	DNA-directed DNA polymerase, family B, exonuclease domain
75	776	PANTHER	PTHR10322	DNA POLYMERASE CATALYTIC SUBUNIT
543	551	PRINTS	PR00106	DNA-directed DNA-polymerase family B signature
543	551	InterPro	IPR006172	DNA-directed DNA polymerase, family B
491	503	PRINTS	PR00106	DNA-directed DNA-polymerase family B signature
491	503	InterPro	IPR006172	DNA-directed DNA polymerase, family B
417	430	PRINTS	PR00106	DNA-directed DNA-polymerase family B signature
417	430	InterPro	IPR006172	DNA-directed DNA polymerase, family B
545	553	ProSitePatterns	PS00116	DNA polymerase family B signature.
545	553	InterPro	IPR017964	DNA-directed DNA polymerase, family B, conserved site
150	346	CDD	cd05784	DNA_polB_II_exo
350	448	FunFam	G3DSA:3.90.1600.10:FF:000009	DNA polymerase
153	349	Gene3D	G3DSA:3.30.420.10	-
153	349	InterPro	IPR036397	Ribonuclease H superfamily
387	779	SUPERFAMILY	SSF56672	DNA/RNA polymerases
387	779	InterPro	IPR043502	DNA/RNA polymerase superfamily
399	771	CDD	cd05537	POLBc_Pol_II
641	785	Gene3D	G3DSA:1.10.132.60	-
641	785	InterPro	IPR042087	DNA polymerase family B, thumb domain
641	785	FunFam	G3DSA:1.10.132.60:FF:000008	DNA polymerase
150	557	SMART	SM00486	polmehr3
150	557	InterPro	IPR006172	DNA-directed DNA polymerase, family B
6	391	SUPERFAMILY	SSF53098	Ribonuclease H-like
6	391	InterPro	IPR012337	Ribonuclease H-like superfamily
451	640	FunFam	G3DSA:3.90.1600.10:FF:000010	DNA polymerase
153	349	FunFam	G3DSA:3.30.420.10:FF:000052	DNA polymerase

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

0.337

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Surrounding area

Pocket 2 P2Rank #2

0.324

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Surrounding area

Pocket 3 P2Rank #3

0.274

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Surrounding area

Pocket 4 P2Rank #4

0.229

Likely same site as FPocket 26 5.9 Å 13 shared residues 93% of smaller site

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Surrounding area

Pocket 5 P2Rank #5

0.202

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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 #60

0.325

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Surrounding area

Pocket 2 FPocket #28

0.28

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Surrounding area

Pocket 3 FPocket #26

0.232 Unusual size

Likely same site as P2Rank 4 5.9 Å 13 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

0.606

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Surrounding area

Pocket 2 P2Rank #2

0.552

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Surrounding area

Pocket 3 P2Rank #3

0.458

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Surrounding area

Pocket 4 P2Rank #4

0.267

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Surrounding area

Pocket 5 P2Rank #5

0.232

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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_A0A0H3GI42	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_01945	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

5CY PDB via homolog 471.7 Da · LogP 5.62 · TPSA 46.7 Open detail RCSB PDB

9O7 PDB via homolog Detail RCSB PDB

B0U PDB via homolog Detail RCSB PDB

B9X PDB via homolog Detail RCSB PDB

DCP 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
5CY RCSB PDB	4K8X	Q56366	471.7 Da LogP 5.62 TPSA 46.7	1 viol.	✓ Clean	`CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3…`
9O7 RCSB PDB	5VU8	D0VWU9	477.2 Da LogP -0.99 TPSA 258.9	2 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)…`
B0U RCSB PDB	6ISI	Q56366	221.3 Da LogP -0.53 TPSA 91.0	✓ Ro5	✓ Clean	`C(COCCOCCOCCN)C(=O)O`
B9X RCSB PDB	6ISH	Q56366	475.4 Da LogP 0.16 TPSA 190.4	1 viol.	✓ Clean	`CCOCCOCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O…`
DCP RCSB PDB	3K59	P21189	467.2 Da LogP -1.18 TPSA 250.2	2 viol.	✓ Clean	`C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=…`
DG RCSB PDB	6S1M	P28340	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N…`
DG3 RCSB PDB	3K5M	P21189	491.2 Da LogP -0.28 TPSA 258.6	2 viol.	✓ Clean	`c1nc2c(n1[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=…`
DGT RCSB PDB	3MAQ	P21189	507.2 Da LogP -1.31 TPSA 278.9	3 viol.	✓ Clean	`c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O…`
DTP RCSB PDB	5OMQ	Q56366	491.2 Da LogP -0.60 TPSA 258.9	2 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@]…`
DZ4 RCSB PDB	6WYA	D0VWU9	490.2 Da LogP -1.03 TPSA 261.7	2 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@…`
FA2 RCSB PDB	5VU7	D0VWU9	317.2 Da LogP -1.22 TPSA 165.8	✓ Ro5	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3)OP(=O)…`
PPV RCSB PDB	6ISG	Q56366	178.0 Da LogP -0.81 TPSA 124.3	✓ Ro5	✓ Clean	`OP(=O)(O)OP(=O)(O)O`
TCE RCSB PDB	6WYB	D0VWU9	250.2 Da LogP 0.89 TPSA 111.9	✓ Ro5	✓ Clean	`C(CP(CCC(=O)O)CCC(=O)O)C(=O)O`
TTP RCSB PDB	6S1M	P28340	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…`

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
ZINC12296728 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)…`
ZINC13507072 ZINC	1.000	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…`
ZINC13527599 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O…`
ZINC13527603 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)…`
ZINC1532627 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)…`
ZINC1730395 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O…`
ZINC2517013 ZINC	1.000	250.2 Da LogP 0.89 TPSA 111.9	✓ Ro5	✓ Clean	`O=C(O)CCP(CCC(=O)O)CCC(=O)O`
ZINC33979251 ZINC	1.000	482.2 Da LogP -1.16 TPSA 244.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC35923817 ZINC	1.000	221.3 Da LogP -0.53 TPSA 91.0	✓ Ro5	✓ Clean	`NCCOCCOCCOCCC(=O)O`
ZINC3869846 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O…`
ZINC3869847 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2…`
ZINC3869848 ZINC	1.000	347.2 Da LogP -1.54 TPSA 185.8	✓ Ro5	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O…`
ZINC71257139 ZINC	1.000	353.4 Da LogP -0.48 TPSA 118.7	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC79016460 ZINC	1.000	265.3 Da LogP -0.51 TPSA 100.2	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCC(=O)O`
ZINC83253934 ZINC	1.000	441.5 Da LogP -0.45 TPSA 137.2	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC96024082 ZINC	1.000	309.4 Da LogP -0.50 TPSA 109.5	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCC(=O)O`
ZINC96034819 ZINC	1.000	397.5 Da LogP -0.46 TPSA 127.9	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC96503485 ZINC	1.000	485.6 Da LogP -0.43 TPSA 146.4	1 viol.	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC12503053 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=…`
ZINC33979243 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC33979244 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)…`
ZINC33979245 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=…`
ZINC33979246 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O…`
ZINC8215882 ZINC	0.959	402.2 Da LogP -1.28 TPSA 197.6	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O…`
ZINC12503703 ZINC	0.860	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…`
ZINC8215878 ZINC	0.860	427.2 Da LogP -1.42 TPSA 232.3	2 viol.	✓ Clean	`Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…`
ZINC111459735 ZINC	0.836	481.2 Da LogP -1.20 TPSA 249.9	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](N)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC138164075 ZINC	0.836	498.2 Da LogP 0.21 TPSA 227.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC142512519 ZINC	0.818	498.2 Da LogP 0.21 TPSA 227.1	2 viol.	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC13523519 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(…`
ZINC1532628 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=…`
ZINC1678872 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O…`
ZINC2047010 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O…`
ZINC3870253 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O…`
ZINC3870254 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)…`
ZINC6523446 ZINC	0.804	322.2 Da LogP -1.40 TPSA 151.1	✓ Ro5	✓ Clean	`Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=…`
ZINC113218151 ZINC	0.800	486.1 Da LogP -1.33 TPSA 244.1	2 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)…`
ZINC80168152 ZINC	0.800	486.1 Da LogP -1.33 TPSA 244.1	2 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…`
ZINC59206718 ZINC	0.786	498.2 Da LogP -1.98 TPSA 264.4	2 viol.	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…`
ZINC138954515 ZINC	0.772	496.2 Da LogP -1.66 TPSA 261.2	2 viol.	✓ Clean	`O=Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P…`
ZINC1542984448 ZINC	0.750	470.5 Da LogP 0.07 TPSA 148.4	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC201768036 ZINC	0.750	279.3 Da LogP -0.12 TPSA 100.2	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCCC(=O)O`
ZINC31298140 ZINC	0.750	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…`
ZINC35977596 ZINC	0.750	294.3 Da LogP 0.00 TPSA 111.5	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCOCCC(=O)O`
ZINC39383060 ZINC	0.750	206.2 Da LogP -0.03 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCC(=O)O`
ZINC39427081 ZINC	0.750	250.2 Da LogP -0.01 TPSA 102.3	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCC(=O)O`
ZINC71257127 ZINC	0.750	426.5 Da LogP 0.05 TPSA 139.2	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC71257128 ZINC	0.750	338.4 Da LogP 0.02 TPSA 120.8	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCOCCOCCC(=O)O`
ZINC79016464 ZINC	0.750	382.4 Da LogP 0.04 TPSA 130.0	✓ Ro5	✓ Clean	`O=C(O)CCOCCOCCOCCOCCOCCOCCC(=O)O`
ZINC81168756 ZINC	0.750	498.2 Da LogP -2.19 TPSA 264.4	2 viol.	✓ Clean	`Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(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.

Cross-references

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

Sequence

UniProt A0A0H3GI42