Protein profile

VK055_3448

sugar (Glycoside-Pentoside-Hexuronide) transporter domain protein

Genome: KpATCC43816

Gene: AIK82004.1 gph5 Structure source: AlphaFold + ColabFold UniProt A0A0H3H4M0

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Amino acids 464

Annotations 6

Features 49

PDB binders 2

Druggability 0.744

Overview

Basic information about this protein and its source genome.

Accession: VK055_3448
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK82004.1 gph5
Status: annotated
Amino acids: 464
Structure source: AlphaFold + ColabFold

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0015293 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported together in the same direction in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy. GO:0008643 The directed movement of carbohydrate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Carbohydrates are a group of organic compounds based of the general formula Cx(H2O)y. GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other. GO:0006814 The directed movement of sodium ions (Na+) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 30.247
Human E-value: 4.49e-10
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 44.444
DEG E-value: 2.03e-121
Localization: CytoplasmicMembrane
ColabFold pLDDT: 88.08

Selected Druggability evidence

AlphaFold / UniProt model

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.744

Structure A0A0H3H4M0

Pocket Pocket 22

P2Rank 0.964

Structure A0A0H3H4M0

Pocket Pocket 1

ColabFold model

FPocket 0.726 · Pocket 21

P2Rank 0.972 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 54 / 4744 genomes with a hit

Normalized 0.011

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0015293 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported together in the same direction in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy.
GO:0008643 The directed movement of carbohydrate into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Carbohydrates are a group of organic compounds based of the general formula Cx(H2O)y.
GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
GO:0006814 The directed movement of sodium ions (Na+) into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

49 records

Show feature table

Start	End	DB	Term	Name
180	202	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
293	315	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
19	424	Gene3D	G3DSA:1.20.1250.20	MFS general substrate transporter like domains
19	424	InterPro	IPR036259	MFS transporter superfamily
152	174	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
133	151	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
62	87	ProSitePatterns	PS00872	Sodium:galactoside symporter family signature.
62	87	InterPro	IPR018043	Sodium:galactoside symporter, conserved site
32	54	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
255	259	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
109	131	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
320	342	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
175	179	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
232	254	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
16	421	FunFam	G3DSA:1.20.1250.20:FF:000045	Glycoside-pentoside-hexuronide family transporter
429	464	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
385	403	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
400	422	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	99	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
110	132	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
2	446	PANTHER	PTHR11328	MAJOR FACILITATOR SUPERFAMILY DOMAIN-CONTAINING PROTEIN
2	446	InterPro	IPR039672	Lactose permease-like
258	280	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
152	174	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
232	254	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
35	39	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
59	78	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
79	98	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
404	428	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
40	58	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
363	384	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
203	231	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
11	443	NCBIfam	TIGR00792	glycoside-pentoside-hexuronide (GPH):cation symporter
11	443	InterPro	IPR001927	Sodium:galactoside symporter
13	421	SUPERFAMILY	SSF103473	MFS general substrate transporter
13	421	InterPro	IPR036259	MFS transporter superfamily
363	385	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
11	431	CDD	cd17332	MFS_MelB_like
314	318	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
260	283	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
99	109	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
13	427	Pfam	PF13347	MFS/sugar transport protein
343	362	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
12	34	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
284	294	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
319	342	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
295	313	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
179	201	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	11	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

Loading 3D structure...

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Structural evidence

0 + 2

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0H3H4M0	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_3448	ColabFold	—	—	full sequence	—	Loaded

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
7				0.702
29				0.658
30				0.617
15				0.327

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	31.99	0.941
2	4.51	0.193
3	3.71	0.141
4	1.5	0.021

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
21				0.726
29				0.707
2				0.566
14				0.259

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK	Score	Probability
1	36.79	0.956
2	6.45	0.326
3	1.71	0.03
4	1.55	0.023
5	1.25	0.012

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.

52 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, 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
9PG	7L17	P30878	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H…`
LMO	7L16	P30878	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…`

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
ZINC1070097	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC12359987	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC12359988	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC134307	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC134310	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC134325	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`
ZINC156947	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC2539731	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC3956718	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC4028812	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC4282153	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282228	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@…`
ZINC4282287	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC44963928	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H…`
ZINC4521725	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C…`
ZINC5227213	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[…`
ZINC5227791	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@…`
ZINC5842327	1.000	301.3 Da LogP -1.23 TPSA 142.5	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC13550855	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC13550858	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC144550115	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@…`
ZINC242464073	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@…`
ZINC2556632	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C…`
ZINC6093332	0.973	271.2 Da LogP -0.59 TPSA 122.3	✓ Ro5	✓ Clean	`O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C…`
ZINC100034925	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](…`
ZINC100056252	0.882	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC100622862	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](…`
ZINC100623036	0.882	334.5 Da LogP 1.33 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O…`
ZINC106384623	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC118906375	0.882	264.3 Da LogP -0.62 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC118911494	0.882	278.3 Da LogP -0.23 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H…`
ZINC118911500	0.882	278.3 Da LogP -0.23 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]…`
ZINC118911909	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@…`
ZINC140958235	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)…`
ZINC141261234	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C…`
ZINC141262250	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC14880350	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C…`
ZINC15609263	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC48016017	0.882	278.3 Da LogP -0.23 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]…`
ZINC58538417	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C…`
ZINC71788565	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C…`
ZINC71788566	0.882	306.4 Da LogP 0.55 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C…`
ZINC76945547	0.882	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@…`
ZINC85478989	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC85590876	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC85590883	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[…`
ZINC85590888	0.882	320.4 Da LogP 0.94 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)…`
ZINC85605815	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[…`
ZINC94437834	0.882	292.4 Da LogP 0.16 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O`
ZINC95713698	0.882	348.5 Da LogP 1.72 TPSA 99.4	✓ Ro5	✓ Clean	`CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](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.