KpKP13 Protein target profile

Orotate phosphoribosyltransferase

Accession: KP13_31497

Gene: pyrE AHE42096.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GXD7

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Length 213

Pocket druggability (P2Rank · AlphaFold DB model) 0.075

Direct ligand evidence 0 74 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.

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 (%): 31.183 Lower values reduce human off-target concern.
Human E-value: 3.16e-08
Gut microbiome similarity: 6.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG): Y
DEG identity (%): 70.423 Higher values support similarity to known essential genes.
DEG E-value: 4.0700000000000003e-107 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 95.77 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) 0.075

Structure A0A0H3GXD7

Pocket Pocket 1

Druggability (FPocket) 0.116

Structure A0A0H3GXD7

Pocket Pocket 11

ColabFold model

P2Rank 0.069 · Pocket 1

FPocket 0.034 · Pocket 7

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 306 / 4744 genomes with a hit

Prevalence 6.5%

Sequence

Primary amino-acid sequence viewer.

MKPYQRQFIEFALSKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDRDLPYCFNRKEAKTHGEGGNLVGSPLQGRVMLVDDVITAGTAIRESMEIIQAQGAQLAGVLISLDRQERGRGEISAIQEVERDYGCQVISIITLKELITYLEEKPEMAEHLASVRAYREAYGV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Subcellular localization

Localization: Cytoplasmic

Enzyme Commission (EC)

2.4.2.10

Gene Ontology (GO)

GO:0004588 Catalysis of the reaction: orotidine 5'-phosphate + diphosphate = orotate + 5-phospho-alpha-D-ribose 1-diphosphate.
GO:0006221 The chemical reactions and pathways resulting in the formation of a pyrimidine nucleotide, a compound consisting of nucleoside (a pyrimidine base linked to a deoxyribose or ribose sugar) esterified with a phosphate group at either the 3' or 5'-hydroxyl group of the sugar.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0000287 Binding to a magnesium (Mg) ion.
GO:0006207 The chemical reactions and pathways resulting in the formation of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases, beginning with the synthesis of a pyrimidine ring from simpler precursors.
GO:0044205 The chemical reactions and pathways resulting in the formation of UMP, uridine monophosphate, starting with the synthesis of (S)-dihydroorotate from bicarbonate; UMP biosynthesis may either occur via reduction by quinone, NAD+ or oxygen.
GO:0046132 The chemical reactions and pathways resulting in the formation of any ribonucleoside, a nucleoside in which a pyrimidine base is linked to a ribose (beta-D-ribofuranose) molecule.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records

Show feature table

Start	End	DB	Term	Name
10	187	NCBIfam	TIGR00336	orotate phosphoribosyltransferase
10	187	InterPro	IPR004467	Orotate phosphoribosyl transferase domain
1	213	PANTHER	PTHR46683	OROTATE PHOSPHORIBOSYLTRANSFERASE 1-RELATED
2	211	SUPERFAMILY	SSF53271	PRTase-like
2	211	InterPro	IPR029057	Phosphoribosyltransferase-like
1	213	Gene3D	G3DSA:3.40.50.2020	-
1	213	InterPro	IPR029057	Phosphoribosyltransferase-like
50	159	Pfam	PF00156	Phosphoribosyl transferase domain
50	159	InterPro	IPR000836	Phosphoribosyltransferase domain
1	213	Hamap	MF_01208	Orotate phosphoribosyltransferase [pyrE].
1	213	InterPro	IPR023031	Orotate phosphoribosyltransferase
1	213	FunFam	G3DSA:3.40.50.2020:FF:000008	Orotate phosphoribosyltransferase
49	174	CDD	cd06223	PRTases_typeI
49	174	InterPro	IPR000836	Phosphoribosyltransferase 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

0.075

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Surrounding area

Pocket 2 P2Rank #2

0.038

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Surrounding area

Pocket 3 P2Rank #3

0.018

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Surrounding area

Residue sets

UniProt: Binding site:100-100 in other chain

UniProt: Binding site:103-103

UniProt: Binding site:105-105

UniProt: Binding site:124-132 in other chain

UniProt: Binding site:128-128

UniProt: Binding site:156-156

UniProt: Binding site:26-26 in other chain

UniProt: Binding site:34-35

UniProt: Binding site:72-73 in other chain

UniProt: Binding site:99-99

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.069

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Surrounding area

Pocket 2 P2Rank #2

0.056

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Surrounding area

Pocket 3 P2Rank #3

0.019

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Surrounding area

Pocket 4 P2Rank #4

0.017

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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_A0A0H3GXD7	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_31497	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.

74 records

Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records

Transferred evidence 24 records from similar proteins

Structural ligands 20 0 loaded crystals

Measured bioactivity 4 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

5BU PDB via homolog 403.1 Da · LogP -1.97 · TPSA 171.3 Open detail RCSB PDB

5FU PDB via homolog Detail RCSB PDB

5IU PDB via homolog Detail RCSB PDB

6AU PDB via homolog Detail RCSB PDB

6CN 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
5BU RCSB PDB	2QCG	P11172	403.1 Da LogP -1.97 TPSA 171.3	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)…`
5FU RCSB PDB	2QCF	P11172	342.2 Da LogP -2.60 TPSA 171.3	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)…`
5IU RCSB PDB	2QCH	P11172	434.1 Da LogP -1.10 TPSA 151.1	✓ Ro5	✓ Clean	`C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O…`
6AU RCSB PDB	3L0K	P11172	366.2 Da LogP -2.53 TPSA 188.4	✓ Ro5	✓ Clean	`CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H…`
6CN RCSB PDB	3EX1	P11172	349.2 Da LogP -2.86 TPSA 195.1	✓ Ro5	✓ Clean	`C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C#N`
6ZJ RCSB PDB	5HKI	P9WHK9	434.0 Da LogP -2.96 TPSA 198.3	1 viol.	✓ Clean	`C1C(=O)O[Fe]234(OC(=O)CC1(C(=O)O2)O)OC(=O)CC(CC…`
BMP RCSB PDB	3BGG	P11172	340.2 Da LogP -3.03 TPSA 191.5	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
CNU RCSB PDB	3BK0	P11172	349.2 Da LogP -2.86 TPSA 195.1	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)C#N`
JW5 RCSB PDB	2QCM	P11172	354.2 Da LogP -3.24 TPSA 191.5	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
NUP RCSB PDB	3DBP	P11172	339.2 Da LogP -3.15 TPSA 197.3	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
OMP RCSB PDB	1STO	P08870	368.2 Da LogP -3.04 TPSA 208.6	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
PFU RCSB PDB	3MI2	P11172	339.2 Da LogP -2.51 TPSA 208.4	1 viol.	✓ Clean	`C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=…`
QRT RCSB PDB	6ZX2	P11172	367.2 Da LogP -3.64 TPSA 214.4	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
QRZ RCSB PDB	6ZX3	P11172	383.3 Da LogP -3.10 TPSA 197.3	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
S5P RCSB PDB	3L0N	P11172	356.2 Da LogP -2.45 TPSA 171.3	1 viol.	✓ Clean	`C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)…`
U RCSB PDB	6YVK	P11172	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…`
U1P RCSB PDB	3EWW	P11172	351.2 Da LogP -2.74 TPSA 195.2	1 viol.	✓ Clean	`[H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C…`
UEP RCSB PDB	3EWU	P11172	352.2 Da LogP -2.17 TPSA 171.3	✓ Ro5	✓ Clean	`CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2…`
UFT RCSB PDB	3MO7	P11172	326.2 Da LogP -1.76 TPSA 151.1	✓ Ro5	✓ Clean	`C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C…`
XMP RCSB PDB	3BVJ	P11172	365.2 Da LogP -3.44 TPSA 201.2	1 viol.	✓ Clean	`c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=…`

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
CHEMBL2105330 ChEMBL	P11172	7.77 ~17.0 nM	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2…`
CHEMBL473587 ChEMBL	P11172	6.46 ~346.7 nM	370.2 Da LogP -2.03 TPSA 171.3	✓ Ro5	✓ Clean	`CCc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O…`
CHEMBL1164954 ChEMBL	P11172	—	477.4 Da LogP 2.74 TPSA 91.8	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(…`
CHEMBL515914 ChEMBL	P11172	—	371.3 Da LogP -1.74 TPSA 155.9	1 viol.	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](O…`

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
ZINC100351015 ZINC	1.000	368.2 Da LogP -3.04 TPSA 208.6	1 viol.	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(…`
ZINC4095542 ZINC	1.000	368.2 Da LogP -3.04 TPSA 208.6	1 viol.	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(…`
ZINC4217381 ZINC	1.000	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2…`
ZINC5085274 ZINC	1.000	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2…`
ZINC5085275 ZINC	1.000	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]…`
ZINC5085276 ZINC	1.000	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]…`
ZINC5085278 ZINC	1.000	259.2 Da LogP -2.63 TPSA 161.9	1 viol.	✓ Clean	`NC(=O)c1[nH]nc([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H…`
ZINC13547843 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)cc1I`
ZINC17779640 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1I`
ZINC2562618 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](CO)O2)cc1I`
ZINC27654519 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc…`
ZINC3586101 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1I`
ZINC3834173 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I`
ZINC5223557 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1I`
ZINC537850 ZINC	0.708	354.1 Da LogP -1.22 TPSA 104.6	✓ Ro5	✓ Clean	`O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1I`
ZINC14618595 ZINC	0.700	288.2 Da LogP -3.15 TPSA 162.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H…`
ZINC6090924 ZINC	0.700	288.2 Da LogP -3.15 TPSA 162.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H…`
ZINC88462830 ZINC	0.700	288.2 Da LogP -3.15 TPSA 162.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@H]…`
ZINC88462832 ZINC	0.700	288.2 Da LogP -3.15 TPSA 162.1	✓ Ro5	✓ Clean	`O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@H]…`
ZINC256689713 ZINC	0.685	368.2 Da LogP -2.62 TPSA 208.9	1 viol.	✓ Clean	`O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)…`
ZINC256689719 ZINC	0.685	368.2 Da LogP -2.62 TPSA 208.9	1 viol.	✓ Clean	`O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)…`
ZINC5385816 ZINC	0.680	385.3 Da LogP -1.36 TPSA 155.9	1 viol.	✓ Clean	`CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](C)O[C@@H](n2…`
ZINC5385817 ZINC	0.680	385.3 Da LogP -1.36 TPSA 155.9	1 viol.	✓ Clean	`CC(=O)O[C@H]1[C@H](C)O[C@@H](n2ncc(=O)[nH]c2=O)…`
ZINC5385819 ZINC	0.680	385.3 Da LogP -1.36 TPSA 155.9	1 viol.	✓ Clean	`CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2ncc(=O)[nH]…`
ZINC5385820 ZINC	0.680	385.3 Da LogP -1.36 TPSA 155.9	1 viol.	✓ Clean	`CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](n2ncc(=O)[nH]…`
ZINC504796802 ZINC	0.667	443.4 Da LogP -1.40 TPSA 182.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@H](n2ncc(O)nc2=O)[C@H](OC(C)…`
ZINC504796803 ZINC	0.667	443.4 Da LogP -1.40 TPSA 182.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@H](n2ncc(O)nc2=O)[C@H](OC(C)…`
ZINC504796804 ZINC	0.667	443.4 Da LogP -1.40 TPSA 182.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@H](n2ncc(O)nc2=O)[C@H](OC(C)…`
ZINC504796805 ZINC	0.667	443.4 Da LogP -1.40 TPSA 182.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@H](n2ncc(O)nc2=O)[C@H](OC(C)…`
ZINC8740070 ZINC	0.667	412.4 Da LogP -1.08 TPSA 165.0	1 viol.	✓ Clean	`CC(=O)Nc1cnn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C…`
ZINC102809055 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@H](n2nc(N(C)C)c(=O)[nH]c2=O)…`
ZINC102809059 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)…`
ZINC34716119 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O…`
ZINC34716121 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)…`
ZINC34716123 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O…`
ZINC9033302 ZINC	0.632	486.4 Da LogP -1.75 TPSA 185.4	1 viol.	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)…`
ZINC12659241 ZINC	0.621	427.4 Da LogP -0.47 TPSA 145.0	1 viol.	✓ Clean	`CCCCn1c(=O)cnn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC…`
ZINC12659244 ZINC	0.621	427.4 Da LogP -0.47 TPSA 145.0	1 viol.	✓ Clean	`CCCCn1c(=O)cnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(…`
ZINC12659247 ZINC	0.621	427.4 Da LogP -0.47 TPSA 145.0	1 viol.	✓ Clean	`CCCCn1c(=O)cnn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(…`
ZINC8770561 ZINC	0.621	427.4 Da LogP -0.47 TPSA 145.0	1 viol.	✓ Clean	`CCCCn1c(=O)cnn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC…`
ZINC12503831 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2…`
ZINC12503833 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]…`
ZINC13512000 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]…`
ZINC1532538 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H…`
ZINC2026984 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]…`
ZINC2606131 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@…`
ZINC36377965 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H…`
ZINC3870257 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H…`
ZINC3870260 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@…`
ZINC9235501 ZINC	0.611	324.2 Da LogP -2.73 TPSA 171.3	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H…`

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 A0A0H3GXD7

Chemistry

ChEMBL CHEMBL2105330 ChEMBL CHEMBL473587 ChEMBL CHEMBL1164954 ChEMBL CHEMBL515914

Orotate phosphoribosyltransferase

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

Main supporting evidence

Risks to review

Evidence gaps

Prioritization evidence

Off-target risk

Essentiality

Structure confidence

Binding-site evidence

Sequence

Functional annotations

Subcellular localization

Enzyme Commission (EC)

Gene Ontology (GO)

Sequence domains and features

3D structure

Binding pockets · P2Rank

Binding pockets · P2Rank

Structural evidence

Ligand evidence

Cross-references

Sequence

Chemistry