Protein profile

PA2570

PA-I galactophilic lectin

Genome: NC_002516.2

Gene: lecA pa1L PA2570 Structure source: Experimental + AlphaFold UniProt Q05097

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Amino acids 122

Annotations 5

Features 7

PDB binders 5

Druggability 0.324

Overview

Basic information about this protein and its source genome.

Accession: PA2570
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: lecA pa1L PA2570
Status: annotated
Amino acids: 122
Structure source: Experimental + AlphaFold

GO:0009986 The external part of the cell wall and/or plasma membrane. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria). GO:0030246 Binding to a carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates. GO:0007157 The attachment of an adhesion molecule in one cell to a nonidentical adhesion molecule in an adjacent cell.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Selected Druggability evidence

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 0.324

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

GO:0009986 The external part of the cell wall and/or plasma membrane.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0042597 The region between the inner (cytoplasmic) and outer membrane (Gram-negative Bacteria) or cytoplasmic membrane and cell wall (Fungi and Gram-positive Bacteria).
GO:0030246 Binding to a carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates.
GO:0007157 The attachment of an adhesion molecule in one cell to a nonidentical adhesion molecule in an adjacent cell.

Sequence Features

Domain/signature hits from InterPro and related databases.

7 records

Show feature table

Start	End	DB	Term	Name
2	122	SUPERFAMILY	SSF49785	Galactose-binding domain-like
2	122	InterPro	IPR008979	Galactose-binding-like domain superfamily
1	122	PIRSF	PIRSF020485	PA-IL
1	122	InterPro	IPR012905	PA-IL-like
2	122	Pfam	PF07828	PA-IL-like protein
2	122	InterPro	IPR012905	PA-IL-like
2	122	Gene3D	G3DSA:2.60.120.430	-

3D Structure

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

No pockets are loaded yet for the displayed PDB 4LJH structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.

Loading 3D structure...

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Structural evidence

31 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 4LJH	X-ray	1.45 Å	A,B,C,D	100.0% 1-122	PDBe RCSB PDBj File	Viewing
PDB 3ZYH	X-ray	1.50 Å	A,B	100.0% 1-122	PDBe RCSB PDBj File	Loaded
PDB 3ZYF	X-ray	1.94 Å	A,B,C,D	100.0% 1-122	PDBe RCSB PDBj File	Loaded
PDB 3ZYB	X-ray	2.29 Å	A,B,C,D,E,F,G,H	100.0% 1-122	PDBe RCSB PDBj File	Loaded
PDB 4YWA	X-ray	1.19 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 8GUV	X-ray	1.32 Å	A,B	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4YW6	X-ray	1.40 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 1L7L	X-ray	1.50 Å	A	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 7FIO	X-ray	1.50 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4CPB	X-ray	1.57 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 1OKO	X-ray	1.60 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4LKF	X-ray	1.64 Å	A,B	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4CP9	X-ray	1.65 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4LKE	X-ray	1.65 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 9G3R	X-ray	1.70 Å	A,B,C,D,E,F,G,H	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4AL9	X-ray	1.75 Å	A,B,C,D,E,F,G,H	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4LK7	X-ray	1.76 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 7FJH	X-ray	1.79 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 5MIH	X-ray	1.80 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4YW7	X-ray	1.82 Å	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 6YO3	X-ray	1.84 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 6YOH	X-ray	1.84 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 2VXJ	X-ray	1.90 Å	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 5D21	X-ray	1.90 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4A6S	X-ray	2.15 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4LKD	X-ray	2.31 Å	A,B,C,D,E,F,G,H	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 1UOJ	X-ray	2.40 Å	A,B,C,D	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 2WYF	X-ray	2.40 Å	A,B,C,D,E,F,G,H	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 4LK6	X-ray	2.86 Å	A,B,C,D,E,F,G,H,I,J,K,L	99.2% 2-122	PDBe RCSB PDBj File	Loaded
PDB 7Z62	X-ray	1.53 Å	AAA,BBB	99.2% 2-122	PDBe RCSB PDBj File	Metadata only
PDB 7Z63	X-ray	1.75 Å	AAA,BBB,CCC,DDD	99.2% 2-122	PDBe RCSB PDBj File	Metadata only
AlphaFold PA2570	AlphaFold	—	—	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.

69 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.

Ligand	Source crystal	MW · LogP · TPSA	Lipinski	PAINS	SMILES
G0P	4YW6 1.40 Å Open crystal	481.5 Da LogP -1.28 TPSA 174.8	1 viol.	✓ Clean	`c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]…`
P3K	6YO3 1.84 Å Open crystal	135.1 Da LogP 0.97 TPSA 64.2	✓ Ro5	Alert	`c1cc(c(c(c1)O)O)C#N`
P4H	6YOH 1.84 Å Open crystal	246.2 Da LogP 1.74 TPSA 98.0	✓ Ro5	Alert	`c1cc(c(cc1C(=O)c2ccc(cc2O)O)O)O`
PHB	4LKE 1.65 Å Open crystal	138.1 Da LogP 1.09 TPSA 57.5	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)O`

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
9TQ	5OFI	Q7N561	614.6 Da LogP 0.50 TPSA 207.3	3 viol.	✓ Clean	`c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([…`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

Ligand	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL5192743	7.92	1022.9 Da LogP -8.27 TPSA 461.4	3 viol.	✓ Clean	`OC[C@H]1O[C@@H](OCc2cn([C@H]3[C@H](O)[C@@H](O)[…`
4J9	7.55	1093.0 Da LogP -11.67 TPSA 531.4	3 viol.	✓ Clean	`c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3…`
CHEMBL5397352	7.55	1093.0 Da LogP -11.67 TPSA 531.4	3 viol.	✓ Clean	`OC[C@H]1O[C@@H](OCc2cn([C@@H]3[C@H](O)[C@@H](O)…`
CHEMBL5287952	7.09	1898.1 Da LogP -7.73 TPSA 698.7	3 viol.	✓ Clean	`N=C(N)NCCC[C@H](NC(=O)COCCOCCNC(=O)[C@H](CCCCNC…`
CHEMBL3797852	7.00	405.5 Da LogP -1.29 TPSA 145.5	✓ Ro5	✓ Clean	`CO[C@H]1O[C@H]([C@@H](O)CNS(=O)(=O)c2c(C)cc(C)c…`
CHEMBL5286977	6.85	3533.4 Da LogP -2.16 TPSA 1177.0	3 viol.	✓ Clean	`CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NCCCC[C…`
CHEMBL5419999	6.80	568.7 Da LogP -0.47 TPSA 180.3	3 viol.	✓ Clean	`C=C(c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@…`
CHEMBL3358626	6.75	2134.4 Da LogP 0.66 TPSA 610.9	3 viol.	✓ Clean	`C[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3c4cc(C(C)(C)C)…`
CHEMBL5288501	6.75	2150.4 Da LogP -0.37 TPSA 631.1	3 viol.	✓ Clean	`CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO…`
CHEMBL5440744	6.75	2150.4 Da LogP -0.37 TPSA 631.1	3 viol.	✓ Clean	`CC(C)(C)c1cc2c(OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO…`
CHEMBL3590185	6.67	529.5 Da LogP -6.40 TPSA 257.3	3 viol.	✓ Clean	`CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@…`
CHEMBL5175379	6.66	1031.0 Da LogP -8.96 TPSA 461.4	3 viol.	✓ Clean	`OC[C@H]1O[C@@H](OCCCc2cn(CCn3cc([C@@H]4O[C@H](C…`
CHEMBL5277438	6.54	476.4 Da LogP -3.97 TPSA 214.9	2 viol.	✓ Clean	`COC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C…`
MFU	6.37	178.2 Da LogP -1.54 TPSA 79.2	✓ Ro5	✓ Clean	`C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O`

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
ZINC12501520	1.000	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC2512313	1.000	246.2 Da LogP 1.74 TPSA 98.0	✓ Ro5	Alert	`O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O`
ZINC3874716	1.000	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769	1.000	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548	1.000	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC5178829	1.000	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830	1.000	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC389804	0.842	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(O)cc2)cc1`
ZINC238808827	0.824	853.8 Da LogP -10.75 TPSA 415.6	3 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O…`
ZINC35636129	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]…`
ZINC35636131	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]…`
ZINC35636133	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2…`
ZINC35636134	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2…`
ZINC44127202	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O…`
ZINC77269549	0.809	367.4 Da LogP -4.23 TPSA 178.2	1 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2…`
ZINC136891067	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@H]1O…`
ZINC1500993212	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC247921882	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC247921887	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC33913775	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O…`
ZINC4097097	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]…`
ZINC4097367	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC4097368	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O…`
ZINC44127228	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[…`
ZINC44960071	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC59065580	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1…`
ZINC75761008	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@H]1O…`
ZINC83260785	0.800	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]…`
ZINC13545957	0.766	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2…`
ZINC4228284	0.766	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O…`
ZINC43505242	0.766	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[C@@H]2O[…`
ZINC77269582	0.766	383.4 Da LogP -5.25 TPSA 198.4	2 viol.	✓ Clean	`CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[C@@H]2O…`
ZINC37292	0.750	230.2 Da LogP 2.03 TPSA 77.8	✓ Ro5	✓ Clean	`O=C(c1ccc(O)cc1)c1ccc(O)cc1O`
ZINC33246180	0.727	242.2 Da LogP 3.51 TPSA 82.2	✓ Ro5	Alert	`O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC3896282	0.727	242.2 Da LogP 3.51 TPSA 82.2	✓ Ro5	Alert	`O=C(O)c1ccc(/N=N/c2ccc(O)cc2)cc1`
ZINC392302	0.727	230.2 Da LogP 2.88 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(O)cc2)cc1`
ZINC253604891	0.720	381.4 Da LogP -3.57 TPSA 167.2	1 viol.	✓ Clean	`CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]…`
ZINC253604892	0.720	381.4 Da LogP -3.57 TPSA 167.2	1 viol.	✓ Clean	`CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]…`
ZINC253604893	0.720	381.4 Da LogP -3.57 TPSA 167.2	1 viol.	✓ Clean	`CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]…`
ZINC33855943	0.720	381.4 Da LogP -3.57 TPSA 167.2	1 viol.	✓ Clean	`CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]…`
ZINC3845149	0.700	262.2 Da LogP 1.45 TPSA 118.2	✓ Ro5	Alert	`O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)cc1O`
ZINC103664702	0.696	488.4 Da LogP -6.55 TPSA 248.4	2 viol.	✓ Clean	`C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H…`
ZINC103664705	0.696	488.4 Da LogP -6.55 TPSA 248.4	2 viol.	✓ Clean	`C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H]…`
ZINC289893	0.696	278.3 Da LogP 1.92 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1`
ZINC115086873	0.688	209.2 Da LogP -1.08 TPSA 83.2	✓ Ro5	✓ Clean	`NOCCOCCOCCOCCO`
ZINC16052118	0.688	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257	0.688	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC38917157	0.688	210.3 Da LogP -0.04 TPSA 47.9	✓ Ro5	✓ Clean	`OCCOCCOCCOCCS`
ZINC44076059	0.688	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC83253921	0.688	369.5 Da LogP -0.95 TPSA 110.9	✓ Ro5	✓ Clean	`NCCOCCOCCOCCOCCOCCOCCOCCO`

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.