Protein profile

KP13_02321

Propanediol diffusion facilitator

Genome: KpKP13

Gene: AHE42892.1 pduF Structure source: AlphaFold + ColabFold UniProt A0A2X1SMP4

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Amino acids 269

Annotations 5

Features 46

PDB binders 2

Druggability 0.971

Overview

Basic information about this protein and its source genome.

Accession: KP13_02321
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE42892.1 pduF
Status: annotated
Amino acids: 269
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:0015267 Enables the energy-independent facilitated diffusion of a solute through a transmembrane aqueous pore or channel. Stereospecificity is not exhibited but this transport may be specific for a particular molecular species or class of molecules. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0015254 Enables the energy-independent facilitated diffusion of glycerol through a transmembrane aqueous pore or channel.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 41.791
Human E-value: 1.39e-08
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: CytoplasmicMembrane
ColabFold pLDDT: 95.62

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 0.971

Structure A0A2X1SMP4

Pocket Pocket 1

P2Rank 0.557

Structure A0A2X1SMP4

Pocket Pocket 1

ColabFold model

FPocket 0.958 · Pocket 1

P2Rank 0.64 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 142 / 4744 genomes with a hit

Normalized 0.03

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 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:0015267 Enables the energy-independent facilitated diffusion of a solute through a transmembrane aqueous pore or channel. Stereospecificity is not exhibited but this transport may be specific for a particular molecular species or class of molecules.
GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
GO:0015254 Enables the energy-independent facilitated diffusion of glycerol through a transmembrane aqueous pore or channel.

Sequence Features

Domain/signature hits from InterPro and related databases.

46 records

Show feature table

Start	End	DB	Term	Name
64	81	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
165	175	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
178	200	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
182	204	PRINTS	PR00783	Major intrinsic protein family signature
182	204	InterPro	IPR000425	Major intrinsic protein
83	102	PRINTS	PR00783	Major intrinsic protein family signature
83	102	InterPro	IPR000425	Major intrinsic protein
232	252	PRINTS	PR00783	Major intrinsic protein family signature
232	252	InterPro	IPR000425	Major intrinsic protein
149	167	PRINTS	PR00783	Major intrinsic protein family signature
149	167	InterPro	IPR000425	Major intrinsic protein
46	70	PRINTS	PR00783	Major intrinsic protein family signature
46	70	InterPro	IPR000425	Major intrinsic protein
7	26	PRINTS	PR00783	Major intrinsic protein family signature
7	26	InterPro	IPR000425	Major intrinsic protein
5	258	PANTHER	PTHR43829	AQUAPORIN OR AQUAGLYCEROPORIN RELATED
64	72	ProSitePatterns	PS00221	MIP family signature.
64	72	InterPro	IPR022357	Major intrinsic protein, conserved site
201	227	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
8	252	CDD	cd00333	MIP
8	252	InterPro	IPR000425	Major intrinsic protein
250	269	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
2	256	Gene3D	G3DSA:1.20.1080.10	Glycerol uptake facilitator protein.
2	256	InterPro	IPR023271	Aquaporin-like
55	77	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
37	58	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	30	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
143	165	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
82	87	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
31	36	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
231	253	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
84	106	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	11	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
143	164	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
11	249	NCBIfam	TIGR00861	MIP family channel protein
11	249	InterPro	IPR000425	Major intrinsic protein
228	249	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
107	142	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
6	254	SUPERFAMILY	SSF81338	Aquaporin-like
6	254	InterPro	IPR023271	Aquaporin-like
88	106	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
7	249	Pfam	PF00230	Major intrinsic protein
7	249	InterPro	IPR000425	Major intrinsic protein
59	63	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
176	200	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A2X1SMP4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02321	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
1				0.971
9				0.528
6				0.473
14				0.461

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	9.2	0.493
2	7.27	0.379
3	2.17	0.052
4	2.11	0.048

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
1				0.958
2				0.629
17				0.556
12				0.476

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	9.71	0.522
2	9.08	0.486
3	2.36	0.062
4	2.11	0.048
5	1.98	0.042

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.

63 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
3PE	3M9I	Q6J8I9	748.1 Da LogP 12.06 TPSA 134.4	2 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC…`
PS6	3D9S	P55064	567.7 Da LogP 5.27 TPSA 171.7	2 viol.	✓ Clean	`CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H…`

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
AZM	P55088	—	222.3 Da LogP -0.86 TPSA 115.0	✓ Ro5	✓ Clean	`CC(=O)Nc1nnc(s1)S(=O)(=O)N`
CHEMBL121	P41181	—	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1`
CHEMBL128	P55088	—	295.4 Da LogP 1.32 TPSA 65.2	✓ Ro5	✓ Clean	`CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1`
CHEMBL16	P55088	—	252.3 Da LogP 1.77 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1`
CHEMBL536151	P55087	—	383.7 Da LogP 5.34 TPSA 49.3	1 viol.	✓ Clean	`O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O`
CHEMBL687	P55088	—	214.2 Da LogP 0.29 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(N)(=O)=O)cc1`
CHEMBL741	P55088	—	256.1 Da LogP 2.01 TPSA 90.7	✓ Ro5	✓ Clean	`Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1`
EZL	P55088	—	258.3 Da LogP 1.34 TPSA 82.3	✓ Ro5	✓ Clean	`CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N`
FOK	P41181	—	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@…`
TOR	P55088	—	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C…`
ZON	P55087	—	212.2 Da LogP 0.62 TPSA 86.2	✓ Ro5	✓ Clean	`c1ccc2c(c1)c(no2)CS(=O)(=O)N`

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
ZINC102190506	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	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…`
ZINC13156	1.000	256.1 Da LogP 2.01 TPSA 90.7	✓ Ro5	✓ Clean	`Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1`
ZINC134036	1.000	214.2 Da LogP 0.29 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(N)(=O)=O)cc1`
ZINC13612334	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@@…`
ZINC13783471	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)…`
ZINC13783493	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC14360	1.000	295.4 Da LogP 1.32 TPSA 65.2	✓ Ro5	✓ Clean	`CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1`
ZINC144827766	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@@](C)(O1)[C@@H](O…`
ZINC1543366	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC23586802	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC248102933	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@@H](O)CCC(…`
ZINC248102936	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@H](O)CCC(C…`
ZINC2510358	1.000	252.3 Da LogP 1.77 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1`
ZINC36385190	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](OC(C)…`
ZINC3813042	1.000	222.3 Da LogP -0.86 TPSA 115.0	✓ Ro5	✓ Clean	`CC(=O)Nc1nnc(S(N)(=O)=O)s1`
ZINC3831557	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C…`
ZINC3831559	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@]3(COS(N)(=O)=O)OC(C)(C)O[C@…`
ZINC3872620	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(…`
ZINC3872621	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC3872622	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(…`
ZINC3872623	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC3977779	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC4321	1.000	212.2 Da LogP 0.62 TPSA 86.2	✓ Ro5	✓ Clean	`NS(=O)(=O)Cc1noc2ccccc12`
ZINC43574047	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@]3(COS(N)(=O)…`
ZINC4544736	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](OC(C…`
ZINC56721	1.000	258.3 Da LogP 1.34 TPSA 82.3	✓ Ro5	✓ Clean	`CCOc1ccc2nc(S(N)(=O)=O)sc2c1`
ZINC56863626	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2[C@@H](CO[C@]3(COS(N)(=O)=O)OC(C)(…`
ZINC71789673	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC71789674	1.000	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC95616603	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C…`
ZINC96085732	1.000	339.4 Da LogP -0.40 TPSA 115.5	✓ Ro5	✓ Clean	`CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3(COS(N)(=O)=…`
ZINC968328	1.000	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1`
ZINC968330	1.000	357.4 Da LogP 2.49 TPSA 71.5	✓ Ro5	✓ Clean	`CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1`
ZINC27416437	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCC`
ZINC33902364	0.976	411.4 Da LogP 2.69 TPSA 134.4	✓ Ro5	✓ Clean	`CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC…`
ZINC12970899	0.889	290.3 Da LogP 1.96 TPSA 89.3	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1`
ZINC2382316250	0.887	452.5 Da LogP 2.09 TPSA 119.4	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(…`
ZINC27553862	0.887	452.5 Da LogP 2.09 TPSA 119.4	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC…`
ZINC13111092	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)…`
ZINC2069563917	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](O)[…`
ZINC71766833	0.852	410.5 Da LogP 1.52 TPSA 113.3	✓ Ro5	✓ Clean	`C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)…`
ZINC6116337	0.815	270.3 Da LogP 1.91 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(F)cc2)N1`
ZINC6116537	0.815	270.3 Da LogP 1.91 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(F)cc2)N1`
ZINC2165131	0.800	369.4 Da LogP 1.09 TPSA 135.4	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1`
ZINC242063	0.800	333.4 Da LogP 1.54 TPSA 118.4	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1`
ZINC114897182	0.788	495.7 Da LogP 3.50 TPSA 84.2	✓ Ro5	Alert	`CNS(=O)(=O)Cc1ccc2[nH]c(Cc3ccc4[nH]cc(CCN(C)C)c…`
ZINC22061272	0.787	355.4 Da LogP -1.42 TPSA 135.8	✓ Ro5	✓ Clean	`CC1(C)O[C@H]2[C@@H]3O[C@](C)(CO)O[C@@H]3CO[C@@]…`
ZINC119642	0.786	268.3 Da LogP 1.48 TPSA 78.4	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O)cc2)N1`
ZINC2048546	0.786	286.7 Da LogP 2.42 TPSA 58.2	✓ Ro5	✓ Clean	`O=C1NC(=O)[C@](c2ccccc2)(c2ccc(Cl)cc2)N1`

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.