KpKP13 Protein target profile

Cellulose synthase operon protein C

Accession: KP13_00278

Gene: AHE42189.1 bcsC 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GZW7

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Length 1350

Pocket druggability (P2Rank · AlphaFold DB model) 0.772

Direct ligand evidence 0 54 total records

Functional annotation 0 EC 5 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

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.77, FPocket 0.79). 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. Strong predicted binding pocket FPocket selected-pocket score 0.79. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.77. 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: 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: 84.52 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) 0.772

Structure A0A0H3GZW7

Pocket Pocket 1

Druggability (FPocket) 0.793

Structure A0A0H3GZW7

Pocket Pocket 67

ColabFold model

P2Rank 0.716 · Pocket 1

FPocket 0.848 · Pocket 128

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 32 / 4744 genomes with a hit

Prevalence 0.7%

Sequence

Primary amino-acid sequence viewer.

MKRKIIITMKNTRRLTTFCLTGALTLAASGGALAAGNDAALQALFAQANYWHEKSHDELAMESLQKVLSVDANNTQALYLMALWSQQGGDMQAAAQWRARLAKAAPDSPGLQDLDNAKKMSQVPQGQLSLARQQARGGNIPGALATWRSMFNGNTPPAGLAAEYYLTMASDKSLYPQAISELRQYVAQHPQENAPRVALGKALTWREETRREGIALLEPMASGNKEADSGLRQALLWLGPQAGDEQYYDTWMQRHPQDSEVQNYFRERRSGQARGQGYANLNSGNTAAAKQQFEEVLQTNPQDADALAGMGYIAQRSGDYQAASQYLSRAADLGGDASATRRQQAADALFYGQLAQAQQAYKQGNISQALALSAPLAQQSGAQGASAKLFRADVLRHNKDLPQAEQTLRSLLNDDPQNAAARENLYYVLREQNKSAEAQAMLQTLPQSLRQKLQPRVVAGMPGDALRRQAQAQVSGGNPAGAIATLREGVARYPDDPWLRLDLARLLQKSGNGSEASSLMSAAYRPGASNSALYAAALFASENGAWQQAQTLLARIPGGSQTSDMRDLRQRVNYNLQLVTAENYLAQGNTIAASNTLRAMASTPPKAPADAGKLARLLAESGDLTTAVSLVRNNISSGVSGNAGDYADQIAVLNQAGLTGEAQNLISNPQLQASSTPTQLASIRNGYVINEADRLREQGNYAAAYDKLIRAMQSDPQNTDLMFAMARLYQSGKMNKEAGVVYDYLMTRDTPNQDARAGAIDVALSAGNNDRAEQLAGGLRQDNSPDRLLLLARVAEAQGHHQQAMTYLRSARGKLLGMQSTNSSETPTVGGVLAADNPFIGVSQTSAPTRTASAYGQYMPWQVAQSAAAPGSTLPGIQRTDLPVDTAQTRMLRQVDTMMESLQEKTGSWLQGGMDVRGRDGESGTSKLTELRTPLTWSSSPFGDSRFDFTVTPVSLNAGTASGDAWRRYGANPLANAVSNMVSTATSEQAAIASMTEAERTAYFASNPGAEALSGLGTLNAADFNPTTSSGMENLAKLGSYDAGQVASYLSSSSRKPNVDQTSGSTDSQKANGVELALALSGDDYRVDIGSTPLGQDLNTVVGGVKWSPKLTNYLSLILTGERRSLTDSLLSYVGLKDAYSGKTWGQVTKNGGTLQLSYDDGDAGFYVGGGGYSYLGQNVASNTSINANAGVYLRPYHDEYRQLQAGLSMSYMDYSKNLSYFTYGQGGYFSPQNYVSVSLPVSLTEKYDNWTMKLGGSVGYQSYSQDKSAYFPTNSEWQQTLETAVSNGFAKEAYYSATSKSGIGYTLRAGADYKVNKQMTLGGQIGYDTFGDYNESTAGLYIRYMLGDH

MKRKIIITMKNTRRLTTFCLTGALTLAASGGALAAGNDAALQALFAQANYWHEKSHDELAMESLQKVLSVDANNTQALYLMALWSQQGGDMQAAAQWRARLAKAAPDSPGLQDLDNAKKMSQVPQGQLSLARQQARGGNIPGALATWRSMFNGNTPPAGLAAEYYLTMASDKSLYPQAISELRQYVAQHPQENAPRVALGKALTWREETRREGIALLEPMASGNKEADSGLRQALLWLGPQAGDEQYYDTWMQRHPQDSEVQNYFRERRSGQARGQGYANLNSGNTAAAKQQFEEVLQTNPQDADALAGMGYIAQRSGDYQAASQYLSRAADLGGDASATRRQQAADALFYGQLAQAQQAYKQGNISQALALSAPLAQQSGAQGASAKLFRADVLRHNKDLPQAEQTLRSLLNDDPQNAAARENLYYVLREQNKSAEAQAMLQTLPQSLRQKLQPRVVAGMPGDALRRQAQAQVSGGNPAGAIATLREGVARYPDDPWLRLDLARLLQKSGNGSEASSLMSAAYRPGASNSALYAAALFASENGAWQQAQTLLARIPGGSQTSDMRDLRQRVNYNLQLVTAENYLAQGNTIAASNTLRAMASTPPKAPADAGKLARLLAESGDLTTAVSLVRNNISSGVSGNAGDYADQIAVLNQAGLTGEAQNLISNPQLQASSTPTQLASIRNGYVINEADRLREQGNYAAAYDKLIRAMQSDPQNTDLMFAMARLYQSGKMNKEAGVVYDYLMTRDTPNQDARAGAIDVALSAGNNDRAEQLAGGLRQDNSPDRLLLLARVAEAQGHHQQAMTYLRSARGKLLGMQSTNSSETPTVGGVLAADNPFIGVSQTSAPTRTASAYGQYMPWQVAQSAAAPGSTLPGIQRTDLPVDTAQTRMLRQVDTMMESLQEKTGSWLQGGMDVRGRDGESGTSKLTELRTPLTWSSSPFGDSRFDFTVTPVSLNAGTASGDAWRRYGANPLANAVSNMVSTATSEQAAIASMTEAERTAYFASNPGAEALSGLGTLNAADFNPTTSSGMENLAKLGSYDAGQVASYLSSSSRKPNVDQTSGSTDSQKANGVELALALSGDDYRVDIGSTPLGQDLNTVVGGVKWSPKLTNYLSLILTGERRSLTDSLLSYVGLKDAYSGKTWGQVTKNGGTLQLSYDDGDAGFYVGGGGYSYLGQNVASNTSINANAGVYLRPYHDEYRQLQAGLSMSYMDYSKNLSYFTYGQGGYFSPQNYVSVSLPVSLTEKYDNWTMKLGGSVGYQSYSQDKSAYFPTNSEWQQTLETAVSNGFAKEAYYSATSKSGIGYTLRAGADYKVNKQMTLGGQIGYDTFGDYNESTAGLYIRYMLGDH

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization: Unknown

Gene Ontology (GO)

GO:0030244 The chemical reactions and pathways resulting in the formation of cellulose, a linear beta1-4 glucan of molecular mass 50-400 kDa with the pyranose units in the -4C1 conformation.
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0005515 Binding to a protein.
GO:0006011 The chemical reactions and pathways involving UDP-alpha-D-glucose, a substance composed of alpha-D-glucose in glycosidic linkage with uridine diphosphate.
GO:0019867 The external membrane of Gram-negative bacteria or certain organelles such as mitochondria and chloroplasts; freely permeable to most ions and metabolites.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

44 records

Show feature table

Start	End	DB	Term	Name
162	526	Gene3D	G3DSA:1.25.40.10	Tetratricopeptide repeat domain
162	526	InterPro	IPR011990	Tetratricopeptide-like helical domain superfamily
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
391	742	SUPERFAMILY	SSF48452	TPR-like
391	742	InterPro	IPR011990	Tetratricopeptide-like helical domain superfamily
32	127	Gene3D	G3DSA:1.25.40.10	Tetratricopeptide repeat domain
32	127	InterPro	IPR011990	Tetratricopeptide-like helical domain superfamily
45	362	SUPERFAMILY	SSF48452	TPR-like
45	362	InterPro	IPR011990	Tetratricopeptide-like helical domain superfamily
41	510	PANTHER	PTHR12558	CELL DIVISION CYCLE 16,23,27
35	1350	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
926	1347	Pfam	PF05420	Cellulose synthase operon protein C C-terminus (BCSC_C)
926	1347	InterPro	IPR008410	Cellulose synthase operon C, C-terminal
1	34	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
15	26	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
41	74	SMART	SM00028	tpr_5
41	74	InterPro	IPR019734	Tetratricopeptide repeat
385	418	SMART	SM00028	tpr_5
385	418	InterPro	IPR019734	Tetratricopeptide repeat
270	303	SMART	SM00028	tpr_5
270	303	InterPro	IPR019734	Tetratricopeptide repeat
463	496	SMART	SM00028	tpr_5
463	496	InterPro	IPR019734	Tetratricopeptide repeat
304	337	SMART	SM00028	tpr_5
304	337	InterPro	IPR019734	Tetratricopeptide repeat
785	818	SMART	SM00028	tpr_5
785	818	InterPro	IPR019734	Tetratricopeptide repeat
27	34	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	14	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
189	206	PRINTS	PR01441	Cellulose synthase subunit C signature
189	206	InterPro	IPR003921	Cellulose synthase, subunit C
159	171	PRINTS	PR01441	Cellulose synthase subunit C signature
159	171	InterPro	IPR003921	Cellulose synthase, subunit C
1212	1236	PRINTS	PR01441	Cellulose synthase subunit C signature
1212	1236	InterPro	IPR003921	Cellulose synthase, subunit C
496	516	PRINTS	PR01441	Cellulose synthase subunit C signature
496	516	InterPro	IPR003921	Cellulose synthase, subunit C
1252	1273	PRINTS	PR01441	Cellulose synthase subunit C signature
1252	1273	InterPro	IPR003921	Cellulose synthase, subunit C
1	34	Phobius	SIGNAL_PEPTIDE	Signal peptide region
527	822	Gene3D	G3DSA:1.25.40.10	Tetratricopeptide repeat domain
527	822	InterPro	IPR011990	Tetratricopeptide-like helical domain superfamily
1	34	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
477	523	Pfam	PF14559	Tetratricopeptide repeat

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

0.772

Likely same site as FPocket 74 1.0 Å 23 shared residues 88% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.707

Likely same site as FPocket 67 0.9 Å 13 shared residues 100% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.471

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Surrounding area

Pocket 4 P2Rank #4

0.296

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Surrounding area

Pocket 5 P2Rank #5

0.261

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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 #67

0.793

Likely same site as P2Rank 2 0.9 Å 13 shared residues 100% of smaller site

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Surrounding area

Pocket 2 FPocket #74

0.65 Unusual size

Likely same site as P2Rank 1 1.0 Å 23 shared residues 88% 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

0.716

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Surrounding area

Pocket 2 P2Rank #2

0.708

Likely same site as FPocket 2 1.1 Å 13 shared residues 100% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.357

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Surrounding area

Pocket 4 P2Rank #4

0.353

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Surrounding area

Pocket 5 P2Rank #5

0.305

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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 #128

0.848 Unusual size

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Surrounding area

Pocket 2 FPocket #2

0.811

Likely same site as P2Rank 2 1.1 Å 13 shared residues 100% of smaller site

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Surrounding area

Pocket 3 FPocket #1

0.221

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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_A0A0H3GZW7	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_00278	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.

54 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 4 records from similar proteins

Structural ligands 4 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

3PE PDB via homolog 748.1 Da · LogP 12.06 · TPSA 134.4 Open detail RCSB PDB

C8E PDB via homolog Detail RCSB PDB

LMT PDB via homolog Detail RCSB PDB

PE5 PDB via homolog Detail RCSB PDB

ZINC100014200 ZINC proposed compound · Tanimoto 1.000 Detail ZINC

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
3PE RCSB PDB	6TZK	P37650	748.1 Da LogP 12.06 TPSA 134.4	2 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC…`
C8E RCSB PDB	6TZK	P37650	306.4 Da LogP 2.41 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCOCCO`
LMT RCSB PDB	6TZK	P37650	510.6 Da LogP -0.45 TPSA 178.5	3 viol.	✓ Clean	`CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1…`
PE5 RCSB PDB	6TZK	P37650	398.5 Da LogP 0.13 TPSA 94.1	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCOCCO`

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
ZINC100014200 ZINC	1.000	494.7 Da LogP 4.02 TPSA 84.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC100053689 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]…`
ZINC100053691 ZINC	1.000	496.6 Da LogP -0.84 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC100070166 ZINC	1.000	290.4 Da LogP 3.17 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCO`
ZINC100310628 ZINC	1.000	478.7 Da LogP 4.78 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC100365196 ZINC	1.000	302.5 Da LogP 4.71 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCO`
ZINC101772322 ZINC	1.000	434.7 Da LogP 4.76 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC102190506 ZINC	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CC…`
ZINC102190512 ZINC	1.000	467.5 Da LogP 4.25 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)C…`
ZINC103600921 ZINC	1.000	466.7 Da LogP 3.24 TPSA 84.8	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC14880431 ZINC	1.000	378.6 Da LogP 3.20 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC1501015302 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC16051619 ZINC	1.000	350.5 Da LogP 2.42 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCOCCOCCO`
ZINC2039285652 ZINC	1.000	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285653 ZINC	1.000	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285654 ZINC	1.000	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2039285655 ZINC	1.000	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C…`
ZINC2053493146 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493147 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493148 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC2053493149 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H]…`
ZINC252695223 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695224 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695225 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC252695226 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC2584424 ZINC	1.000	218.3 Da LogP 2.37 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCO`
ZINC4521877 ZINC	1.000	234.3 Da LogP 1.61 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCOCCOCCOCCO`
ZINC5273610 ZINC	1.000	322.4 Da LogP 1.64 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCOCCOCCOCCOCCOCCO`
ZINC5650743 ZINC	1.000	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCO`
ZINC58538366 ZINC	1.000	392.6 Da LogP 3.59 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCOCCOCCOCCOCCOCCO`
ZINC58631420 ZINC	1.000	422.6 Da LogP 3.22 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC58649715 ZINC	1.000	496.6 Da LogP -0.84 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC59441819 ZINC	1.000	318.5 Da LogP 3.95 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCO`
ZINC59622400 ZINC	1.000	274.4 Da LogP 3.93 TPSA 38.7	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCO`
ZINC6403917 ZINC	1.000	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`CCOCCOCCOCCOCCOCCOCCOCCO`
ZINC66157001 ZINC	1.000	468.5 Da LogP -1.62 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]…`
ZINC70669940 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669941 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669942 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC70669943 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@…`
ZINC71788551 ZINC	1.000	334.5 Da LogP 3.19 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCOCCOCCOCCOCCO`
ZINC71788564 ZINC	1.000	262.4 Da LogP 2.39 TPSA 47.9	✓ Ro5	✓ Clean	`CCCCCCCCOCCOCCOCCO`
ZINC77311968 ZINC	1.000	454.5 Da LogP -2.01 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H]…`
ZINC8214594 ZINC	1.000	362.6 Da LogP 3.97 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCO`
ZINC83433913 ZINC	1.000	426.5 Da LogP -2.79 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO…`
ZINC85482724 ZINC	1.000	482.6 Da LogP -1.23 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H…`
ZINC86002923 ZINC	1.000	426.5 Da LogP -2.79 TPSA 178.5	2 viol.	✓ Clean	`CCCCCCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)…`
ZINC88260008 ZINC	1.000	390.6 Da LogP 4.75 TPSA 57.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCOCCOCCOCCOCCO`
ZINC95784968 ZINC	1.000	450.7 Da LogP 4.00 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`
ZINC95863931 ZINC	1.000	464.7 Da LogP 4.39 TPSA 75.6	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO`

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 A0A0H3GZW7