Overview
Basic information about this protein and its source genome.
- Accession
- KP13_04214
- Gene
- ftsK AHE45445.1
- Status
- annotated
- Amino acids
- 1424
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 31.401
- Human E-value
- 9.04e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 96.686
- DEG E-value
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 63.59
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.
Gene Ontology (GO)
7- GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
- GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
- GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
- 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:0051301 The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.
- GO:0071236 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of an antibiotic stimulus. An antibiotic is a chemical substance produced by a microorganism which has the capacity to inhibit the growth of or to kill other microorganisms.
- GO:0007059 The process in which genetic material, in the form of chromosomes, is organized into specific structures and then physically separated and apportioned to two or more sets. In eukaryotes, chromosome segregation begins with the condensation of chromosomes, includes chromosome separation, and ends when chromosomes have completed movement to the spindle poles.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 873 | 887 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 21 | 43 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 45 | 74 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 623 | 637 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 165 | 187 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 110 | 131 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1017 | 1329 | SUPERFAMILY | SSF52540 | P-loop containing nucleoside triphosphate hydrolases |
| 1017 | 1329 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 1069 | 1282 | ProSiteProfiles | PS50901 | FtsK domain profile. |
| 1069 | 1282 | InterPro | IPR002543 | FtsK domain |
| 159 | 164 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 213 | 228 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 351 | 588 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 1 | 1423 | PANTHER | PTHR22683 | SPORULATION PROTEIN RELATED |
| 1357 | 1422 | SMART | SM00843 | FtsK_gamma_2 |
| 1357 | 1422 | InterPro | IPR018541 | FtsK gamma domain |
| 212 | 233 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 1359 | 1419 | Pfam | PF09397 | Ftsk gamma domain |
| 1359 | 1419 | InterPro | IPR018541 | FtsK gamma domain |
| 796 | 810 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 935 | 1039 | Gene3D | G3DSA:3.30.980.40 | - |
| 1040 | 1342 | FunFam | G3DSA:3.40.50.300:FF:000209 | Cell division protein FtsK |
| 20 | 191 | Pfam | PF13491 | 4TM region of DNA translocase FtsK/SpoIIIE |
| 20 | 191 | InterPro | IPR025199 | DNA translocase FtsK, 4TM region |
| 935 | 1035 | Pfam | PF17854 | FtsK alpha domain |
| 935 | 1035 | InterPro | IPR041027 | FtsK alpha domain |
| 132 | 136 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 21 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 657 | 935 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 137 | 158 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 620 | 642 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 1040 | 1342 | Gene3D | G3DSA:3.40.50.300 | - |
| 1040 | 1342 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 1357 | 1421 | SUPERFAMILY | SSF46785 | Winged helix DNA-binding domain |
| 1357 | 1421 | InterPro | IPR036390 | Winged helix DNA-binding domain superfamily |
| 811 | 911 | CDD | cd22541 | SP5_N |
| 662 | 685 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 110 | 132 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 99 | 109 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 725 | 743 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 845 | 870 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 137 | 158 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1043 | 1256 | Pfam | PF01580 | FtsK/SpoIIIE family |
| 1043 | 1256 | InterPro | IPR002543 | FtsK domain |
| 22 | 44 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 554 | 583 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 1355 | 1418 | FunFam | G3DSA:1.10.10.10:FF:000268 | DNA translocase FtsK |
| 1354 | 1418 | Gene3D | G3DSA:1.10.10.10 | - |
| 1354 | 1418 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 935 | 1039 | FunFam | G3DSA:3.30.980.40:FF:000001 | DNA translocase FtsK |
| 165 | 184 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 75 | 97 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1081 | 1273 | CDD | cd01127 | TrwB_TraG_TraD_VirD4 |
| 185 | 1424 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 75 | 98 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 488 | 504 | PRINTS | PR01217 | Proline rich extensin signature |
| 444 | 456 | PRINTS | PR01217 | Proline rich extensin signature |
| 531 | 556 | PRINTS | PR01217 | Proline rich extensin signature |
| 415 | 431 | PRINTS | PR01217 | Proline rich extensin signature |
| 506 | 523 | PRINTS | PR01217 | Proline rich extensin signature |
| 459 | 480 | PRINTS | PR01217 | Proline rich extensin signature |
| 397 | 409 | PRINTS | PR01217 | Proline rich extensin signature |
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_A0A0H3GUY9
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_04214
|
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 |
|---|---|---|---|---|---|---|---|
| 63 | 0.849 |
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 | 2.54 | 0.071 | ||||||
| 2 | 2.17 | 0.051 | ||||||
| 3 | 2.08 | 0.047 | ||||||
| 4 | 1.9 | 0.038 | ||||||
| 5 | 1.86 | 0.036 |
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 |
|---|---|---|---|---|---|---|---|
| 65 | 0.696 | ||||||
| 90 | 0.235 | ||||||
| 15 | 0.226 | ||||||
| 26 | 0.217 |
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 | 2.59 | 0.074 | ||||||
| 2 | 2.27 | 0.057 | ||||||
| 3 | 1.92 | 0.039 | ||||||
| 4 | 1.9 | 0.038 | ||||||
| 5 | 1.69 | 0.029 |
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 |
|---|---|---|---|---|---|---|
| AGS | Q9I0M3 | 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)…
|
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 |
|---|---|---|---|---|---|
| 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(=…
|
| 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…
|
| 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…
|
| 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)…
|
| ZINC31516918 | 0.730 | 446.4 Da LogP -1.33 TPSA 218.2 | 1 viol. | ✓ Clean |
CC(C)[C@H](N)C(=O)O[P@](=O)(O)OC[C@H]1O[C@@H](n…
|
| ZINC105469665 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)CP(=O…
|
| ZINC13527614 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC219330894 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873852 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873853 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=O…
|
| ZINC3873854 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)CP(=O)…
|
| ZINC3873855 | 0.729 | 425.2 Da LogP -1.64 TPSA 223.4 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@](=O)(O)CP(=O…
|
| ZINC5615251 | 0.712 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…
|
| ZINC5615253 | 0.712 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…
|
| ZINC5615258 | 0.712 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@…
|
| ZINC5615263 | 0.712 | 375.3 Da LogP -0.55 TPSA 164.1 | 1 viol. | ✓ Clean |
COP(=O)(OC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C…
|
| ZINC1582675 | 0.700 | 403.3 Da LogP 0.23 TPSA 164.1 | 1 viol. | ✓ Clean |
CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[…
|
| ZINC5486730 | 0.700 | 403.3 Da LogP 0.23 TPSA 164.1 | 1 viol. | ✓ Clean |
CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[…
|
| ZINC5486734 | 0.700 | 403.3 Da LogP 0.23 TPSA 164.1 | 1 viol. | ✓ Clean |
CCOP(=O)(OCC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)…
|
| ZINC5486740 | 0.700 | 403.3 Da LogP 0.23 TPSA 164.1 | 1 viol. | ✓ Clean |
CCOP(=O)(OCC)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)…
|
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.