Amino acids
325
Annotations
6
Features
44
PDB binders
6
Druggability
0.722
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_03238
- Gene
- AHE42479.1
- Status
- annotated
- Amino acids
- 325
- Structure source
- AlphaFold + ColabFold
GO
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
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:0005262 Enables the energy-independent facilitated diffusion of a calcium ion through a transmembrane aqueous pore or channel.
GO:0008273 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: Ca2+(in) + K+(in) + Na+(out) = Ca2+(out) + K+(out) + Na+(in).
GO:0006874 A homeostatic process involved in the maintenance of a steady state level of calcium ions within a cell.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 47.368
- Human E-value
- 2.76e-07
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 90.15
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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
0.722
P2Rank
0.239
ColabFold model
Core conservation
Conserved core gene
Gut microbiome
95 / 4744
genomes with a hit
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
6 GO
Gene Ontology (GO)
6- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- 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:0005262 Enables the energy-independent facilitated diffusion of a calcium ion through a transmembrane aqueous pore or channel.
- GO:0008273 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: Ca2+(in) + K+(in) + Na+(out) = Ca2+(out) + K+(out) + Na+(in).
- GO:0006874 A homeostatic process involved in the maintenance of a steady state level of calcium ions within a cell.
Sequence Features
Domain/signature hits from InterPro and related databases.
44 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 105 | 124 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 170 | 188 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 25 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 300 | 324 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 91 | 104 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 189 | 199 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 35 | 56 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 176 | 317 | Pfam | PF01699 | Sodium/calcium exchanger protein |
| 176 | 317 | InterPro | IPR004837 | Sodium/calcium exchanger membrane region |
| 4 | 144 | Pfam | PF01699 | Sodium/calcium exchanger protein |
| 4 | 144 | InterPro | IPR004837 | Sodium/calcium exchanger membrane region |
| 300 | 322 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 276 | 294 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 18 | SignalP_EUK | SignalP-TM | SignalP-TM |
| 172 | 194 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 2 | 151 | PANTHER | PTHR10846 | SODIUM/POTASSIUM/CALCIUM EXCHANGER |
| 2 | 151 | InterPro | IPR004481 | Sodium/potassium/calcium exchanger |
| 204 | 226 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 276 | 293 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 1 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 295 | 299 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 325 | 325 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 4 | 26 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 239 | 261 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 26 | 34 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 68 | 90 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 200 | 219 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 151 | 169 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 35 | 319 | Gene3D | G3DSA:1.20.1420.30 | - |
| 35 | 319 | InterPro | IPR044880 | NCX, central ion-binding domain superfamily |
| 33 | 55 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 220 | 238 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 18 | 25 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 129 | 151 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 239 | 264 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 57 | 67 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 70 | 92 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 123 | 128 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 129 | 150 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 2 | 17 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 265 | 275 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 2 | 312 | NCBIfam | TIGR00367 | calcium/sodium antiporter |
| 2 | 312 | InterPro | IPR004481 | Sodium/potassium/calcium exchanger |
| 105 | 122 | 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 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GW74
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_03238
|
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 | 0.722 | ||||||
| 4 | 0.414 | ||||||
| 5 | 0.404 |
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 | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 3.09 | 0.103 | ||||||
| 2 | 1.69 | 0.029 | ||||||
| 3 | 1.41 | 0.018 |
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 |
|---|---|---|---|---|---|---|---|
| 13 | 0.83 | ||||||
| 2 | 0.516 | ||||||
| 5 | 0.407 | ||||||
| 1 | 0.219 |
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 | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 7.39 | 0.387 | ||||||
| 2 | 2.11 | 0.048 | ||||||
| 3 | 1.66 | 0.028 | ||||||
| 4 | 1.15 | 0.009 |
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.
56 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 |
|---|---|---|---|---|---|---|
| MYC | Q57556 | 318.2 Da LogP 1.69 TPSA 151.6 | 1 viol. | Alert |
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
|
|
| MYS | Q57556 | 212.4 Da LogP 6.10 TPSA 0.0 | 1 viol. | ✓ Clean |
CCCCCCCCCCCCCCC
|
|
| OLC | Q57556 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O
|
|
| P3G | Q57556 | 250.3 Da LogP 1.11 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCC
|
|
| PE8 | Q57556 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
C(COCCOCCOCCOCCOCCOCCOCCO)O
|
|
| TOE | Q57556 | 164.2 Da LogP -0.34 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCO
|
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 |
|---|---|---|---|---|---|
| ZINC12501520 | 1.000 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1501016272 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC1501016273 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016315 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC1501016316 | 1.000 | 314.5 Da LogP 3.75 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC1580161 | 1.000 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 1.000 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 1.000 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC2038077522 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2038077523 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC221534416 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840893 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840894 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840895 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840896 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840901 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840902 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC32840903 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840904 | 1.000 | 356.5 Da LogP 4.92 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC34317654 | 1.000 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC3874317 | 1.000 | 318.2 Da LogP 1.69 TPSA 151.6 | 1 viol. | Alert |
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
|
| 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
|
| ZINC44076059 | 1.000 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| 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
|
| ZINC5210101 | 1.000 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5859031 | 1.000 | 294.4 Da LogP 1.13 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCC
|
| ZINC5997860 | 1.000 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC725433050 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC725433052 | 1.000 | 342.5 Da LogP 4.53 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO
|
| ZINC98208566 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](O)CO
|
| ZINC32840885 | 0.943 | 300.4 Da LogP 3.36 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467566 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC2053467567 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045599 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557100 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4557101 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC5819989 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC5819990 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC85425978 | 0.919 | 354.5 Da LogP 4.70 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC29045446 | 0.892 | 352.5 Da LogP 4.47 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO
|
| ZINC13532428 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC13532435 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO
|
| ZINC13546140 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC13546141 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC33832849 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC35052109 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC[C@H](O)CO
|
| ZINC4411074 | 0.829 | 372.5 Da LogP 3.89 TPSA 87.0 | ✓ Ro5 | ✓ Clean |
CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)OC[C@@H](O)CO
|
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.