Overview
Basic information about this protein and its source genome.
- Accession
- KP13_02993
- Gene
- galK AHE45624.1
- Status
- annotated
- Amino acids
- 383
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 43.799
- Human E-value
- 1.2899999999999998e-91
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- Cytoplasmic
- ColabFold pLDDT
- 96.72
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
9- GO:0006012 The chemical reactions and pathways involving galactose, the aldohexose galacto-hexose. D-galactose is widely distributed in combined form in plants, animals and microorganisms as a constituent of oligo- and polysaccharides; it also occurs in galactolipids and as its glucoside in lactose and melibiose.
- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).
- GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
- GO:0046835 The process of introducing a phosphate group into a carbohydrate, any organic compound based on the general formula Cx(H2O)y.
- GO:0004335 Catalysis of the reaction: D-galactose + ATP = alpha-D-galactose 1-phosphate + ADP + 2 H+.
- GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0000287 Binding to a magnesium (Mg) ion.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 3 | 206 | FunFam | G3DSA:3.30.230.10:FF:000017 | Galactokinase |
| 206 | 381 | SUPERFAMILY | SSF55060 | GHMP Kinase, C-terminal domain |
| 206 | 381 | InterPro | IPR036554 | GHMP kinase, C-terminal domain superfamily |
| 26 | 382 | Hamap | MF_00246 | Galactokinase [galK]. |
| 26 | 382 | InterPro | IPR022963 | Galactokinase, bacterial |
| 122 | 133 | ProSitePatterns | PS00627 | GHMP kinases putative ATP-binding domain. |
| 122 | 133 | InterPro | IPR006203 | GHMP kinase, ATP-binding, conserved site |
| 28 | 39 | ProSitePatterns | PS00106 | Galactokinase signature. |
| 28 | 39 | InterPro | IPR019741 | Galactokinase, conserved site |
| 2 | 206 | Gene3D | G3DSA:3.30.230.10 | - |
| 2 | 206 | InterPro | IPR014721 | Ribosomal protein S5 domain 2-type fold, subgroup |
| 1 | 383 | PIRSF | PIRSF000530 | Galactokinase |
| 1 | 383 | InterPro | IPR006206 | Mevalonate/galactokinase |
| 26 | 50 | PRINTS | PR00959 | Mevalonate kinase family signature |
| 329 | 346 | PRINTS | PR00959 | Mevalonate kinase family signature |
| 120 | 142 | PRINTS | PR00959 | Mevalonate kinase family signature |
| 163 | 182 | PRINTS | PR00959 | Mevalonate kinase family signature |
| 93 | 104 | PRINTS | PR00473 | Galactokinase signature |
| 93 | 104 | InterPro | IPR000705 | Galactokinase |
| 113 | 131 | PRINTS | PR00473 | Galactokinase signature |
| 113 | 131 | InterPro | IPR000705 | Galactokinase |
| 264 | 278 | PRINTS | PR00473 | Galactokinase signature |
| 264 | 278 | InterPro | IPR000705 | Galactokinase |
| 28 | 46 | PRINTS | PR00473 | Galactokinase signature |
| 28 | 46 | InterPro | IPR000705 | Galactokinase |
| 280 | 362 | Pfam | PF08544 | GHMP kinases C terminal |
| 280 | 362 | InterPro | IPR013750 | GHMP kinase, C-terminal domain |
| 115 | 182 | Pfam | PF00288 | GHMP kinases N terminal domain |
| 115 | 182 | InterPro | IPR006204 | GHMP kinase N-terminal domain |
| 207 | 382 | Gene3D | G3DSA:3.30.70.890 | - |
| 207 | 382 | InterPro | IPR036554 | GHMP kinase, C-terminal domain superfamily |
| 6 | 380 | PANTHER | PTHR10457 | MEVALONATE KINASE/GALACTOKINASE |
| 206 | 379 | FunFam | G3DSA:3.30.70.890:FF:000001 | Galactokinase |
| 11 | 59 | Pfam | PF10509 | Galactokinase galactose-binding signature |
| 11 | 59 | InterPro | IPR019539 | Galactokinase, N-terminal domain |
| 6 | 383 | NCBIfam | TIGR00131 | galactokinase |
| 6 | 383 | InterPro | IPR000705 | Galactokinase |
| 2 | 203 | SUPERFAMILY | SSF54211 | Ribosomal protein S5 domain 2-like |
| 2 | 203 | InterPro | IPR020568 | Ribosomal protein S5 domain 2-type fold |
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...
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_A0A0H3GQD1
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_02993
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.395 |
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 | 23.99 | 0.894 | ||||||
| 2 | 4.9 | 0.22 | ||||||
| 3 | 0.88 | 0.004 |
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 | 0.912 |
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 | 24.97 | 0.902 | ||||||
| 2 | 5.78 | 0.282 |
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.
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 |
|---|---|---|---|---|---|---|
| HFK | P51570 | 350.4 Da LogP 3.91 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O
|
|
| JHJ | P51570 | 243.3 Da LogP 2.73 TPSA 63.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(cc1)NC(=O)Nc2ccncc2
|
|
| MEV | Q8PW39 | 147.2 Da LogP -1.74 TPSA 80.6 | ✓ Ro5 | ✓ Clean |
C[C@@](CCO)(CC(=O)[O-])O
|
|
| PMV | Q8PW39 | 228.1 Da LogP -0.29 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
C[C@@](CCOP(=O)(O)O)(CC(=O)O)O
|
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 |
|---|---|---|---|---|---|---|
| CHEMBL1550982 | P51570 | 6.22 | 392.8 Da LogP 4.60 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ccccc1Cl)N=C(Nc1nc3ccccc3o1)N2
|
| CHEMBL3982313 | P51570 | 6.19 | 438.3 Da LogP 4.10 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ncccc1Br)N=C(Nc1nc3ccccc3o1)N2
|
| CHEMBL3923544 | P51570 | 6.12 | 437.3 Da LogP 4.71 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ccccc1Br)N=C(Nc1nc3ccccc3o1)N2
|
| AGS | P51570 | — | 523.2 Da LogP -1.51 TPSA 262.1 | 3 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
| CHEMBL1347128 | P51570 | — | 336.4 Da LogP 3.52 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2
|
| CHEMBL1701190 | P51570 | — | 393.8 Da LogP 4.00 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ccncc1Cl)N=C(Nc1nc3ccccc3o1)N2
|
| CHEMBL1704390 | P51570 | — | 388.4 Da LogP 3.96 TPSA 88.8 | ✓ Ro5 | ✓ Clean |
COc1cccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)c1
|
| CHEMBL1715948 | P51570 | — | 378.5 Da LogP 4.32 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)s1
|
| CHEMBL1721704 | P51570 | — | 358.4 Da LogP 3.95 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ccccc1)N=C(Nc1nc3ccccc3o1)N2
|
| CHEMBL1729947 | P51570 | — | 426.4 Da LogP 4.97 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C(c1ccccc1C(F)(F)F)N=C(Nc1nc3ccccc3…
|
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 |
|---|---|---|---|---|---|
| ZINC6492394 | 1.000 | 350.4 Da LogP 3.91 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2
|
| ZINC6498864 | 1.000 | 336.4 Da LogP 3.52 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2
|
| ZINC67722 | 1.000 | 243.3 Da LogP 2.73 TPSA 63.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)Nc2ccncc2)cc1
|
| ZINC12360002 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12360703 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12503599 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC16546165 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…
|
| ZINC31977053 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC4806433 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC53683898 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586019 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC8586020 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586021 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8586022 | 0.855 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC5906209 | 0.852 | 392.8 Da LogP 4.60 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc…
|
| ZINC5906232 | 0.852 | 392.8 Da LogP 4.60 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N=C(Nc1nc3ccccc3…
|
| ZINC17016310 | 0.788 | 416.5 Da LogP 4.59 TPSA 88.8 | ✓ Ro5 | ✓ Clean |
COc1cccc([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)C…
|
| ZINC9320009 | 0.788 | 416.5 Da LogP 4.59 TPSA 88.8 | ✓ Ro5 | ✓ Clean |
COc1cccc([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CC…
|
| ZINC12761675 | 0.786 | 406.4 Da LogP 4.99 TPSA 100.7 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
|
| ZINC276359 | 0.786 | 272.3 Da LogP 3.35 TPSA 59.6 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
|
| ZINC13518964 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC1532515 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC1571045 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC1842158 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC2046931 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC2126310 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3201891 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC3201893 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3830180 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3860156 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3977897 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC4806442 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC8613167 | 0.782 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC303012 | 0.771 | 333.4 Da LogP 4.33 TPSA 63.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
|
| ZINC4096224 | 0.768 | 346.2 Da LogP -1.90 TPSA 191.9 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](N)(=O)O)[C@@…
|
| ZINC12503850 | 0.763 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141161066 | 0.763 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC141163786 | 0.763 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)…
|
| ZINC4228246 | 0.763 | 427.3 Da LogP -2.04 TPSA 229.4 | 1 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OS(=O…
|
| ZINC12495398 | 0.758 | 308.1 Da LogP -0.17 TPSA 170.8 | ✓ Ro5 | ✓ Clean |
C[C@](O)(CCO[P@](=O)(O)OP(=O)(O)O)CC(=O)O
|
| ZINC8216889 | 0.758 | 308.1 Da LogP -0.17 TPSA 170.8 | ✓ Ro5 | ✓ Clean |
C[C@@](O)(CCO[P@@](=O)(O)OP(=O)(O)O)CC(=O)O
|
| ZINC105372833 | 0.750 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC105372837 | 0.750 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O…
|
| ZINC17107643 | 0.750 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…
|
| ZINC204538551 | 0.750 | 345.3 Da LogP -1.93 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](…
|
| ZINC31475423 | 0.738 | 434.3 Da LogP -2.99 TPSA 238.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OC(=O)…
|
| ZINC9088632 | 0.737 | 386.5 Da LogP 4.58 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@H]2c…
|
| ZINC9088633 | 0.737 | 386.5 Da LogP 4.58 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=N[C@@H]2…
|
| ZINC18212796 | 0.732 | 378.5 Da LogP 4.55 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC…
|
| ZINC9330991 | 0.732 | 364.4 Da LogP 4.15 TPSA 79.5 | ✓ Ro5 | ✓ Clean |
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1
|
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.