Overview
Basic information about this protein and its source genome.
- Accession
- PA5294
- Gene
- norM PA5294
- Status
- annotated
- Amino acids
- 488
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 26.425
- Human E-value
- 3.15e-12
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- CytoplasmicMembrane
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
8- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0098567 The leaflet of the plasma membrane that faces the periplasm, including any protein embedded in, attached to, or peripherally associated with it.
- 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:0015297 Enables the active transport of a solute across a membrane by a mechanism whereby two or more species are transported in opposite directions in a tightly coupled process not directly linked to a form of energy other than chemiosmotic energy. The reaction is: solute A(out) + solute B(in) = solute A(in) + solute B(out).
- GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
- GO:0042910 Enables the directed movement of a xenobiotic from one side of a membrane to the other. A xenobiotic is a compound foreign to the organism exposed to it. It may be synthesized by another organism (like ampicilin) or it can be a synthetic chemical.
- GO:0006811 The directed movement of a monoatomic ion into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Monatomic ions (also called simple ions) are ions consisting of exactly one atom.
- GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 18 | 423 | NCBIfam | TIGR00797 | MATE family efflux transporter |
| 18 | 423 | InterPro | IPR002528 | Multi antimicrobial extrusion protein |
| 393 | 415 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 130 | 147 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 373 | 392 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 12 | 32 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 9 | 455 | PANTHER | PTHR43298 | MULTIDRUG RESISTANCE PROTEIN NORM-RELATED |
| 416 | 420 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 5 | 455 | PIRSF | PIRSF006603 | DinF |
| 5 | 455 | InterPro | IPR002528 | Multi antimicrobial extrusion protein |
| 52 | 75 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 87 | 110 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 241 | 266 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 272 | 294 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 180 | 190 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 355 | 372 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 336 | 354 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 111 | 129 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 18 | 176 | Pfam | PF01554 | MatE |
| 18 | 176 | InterPro | IPR002528 | Multi antimicrobial extrusion protein |
| 244 | 409 | Pfam | PF01554 | MatE |
| 244 | 409 | InterPro | IPR002528 | Multi antimicrobial extrusion protein |
| 191 | 212 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 128 | 150 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 442 | 488 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 295 | 313 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 51 | 73 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 76 | 86 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 157 | 179 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 8 | 447 | CDD | cd13131 | MATE_NorM_like |
| 148 | 158 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 189 | 211 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 11 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 393 | 415 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 159 | 179 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 267 | 271 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 421 | 441 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 314 | 335 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 275 | 297 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 86 | 108 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 33 | 51 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 12 | 31 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 419 | 441 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 238 | 260 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 355 | 372 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 318 | 340 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 213 | 240 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
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 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA5294
|
AlphaFold | — | — | full sequence | — | Viewing |
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 | 0.96 | ||||||
| 2 | 0.244 |
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.
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 |
|---|---|---|---|---|---|---|
| CHEMBL46 | Q96FL8 | 7.52 | 293.4 Da LogP 3.13 TPSA 39.8 | ✓ Ro5 | ✓ Clean |
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
|
| STI | Q96FL8 | 7.40 | 493.6 Da LogP 4.59 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)C…
|
| RIT | Q96FL8 | 7.10 | 721.0 Da LogP 5.91 TPSA 145.8 | 2 viol. | ✓ Clean |
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@…
|
| CP6 | Q8K0H1 | 6.84 | 248.7 Da LogP 2.52 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl
|
| MIX | Q96FL8 | 6.72 | 444.5 Da LogP -0.14 TPSA 163.2 | 1 viol. | Alert |
c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCN…
|
| PNT | Q96FL8 | 6.39 | 340.4 Da LogP 2.88 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
|
| CHEMBL87563 | Q96FL8 | 6.30 | 321.4 Da LogP 1.81 TPSA 114.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1
|
| CHEMBL360861 | Q96FL8 | 6.19 | 405.5 Da LogP 0.33 TPSA 122.6 | ✓ Ro5 | ✓ Clean |
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n…
|
| CHEMBL790 | Q96FL8 | 6.16 | 505.5 Da LogP 4.18 TPSA 167.6 | 2 viol. | ✓ Clean |
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1c…
|
| CHEMBL902 | Q96FL8 | 6.12 | 337.5 Da LogP -0.77 TPSA 175.8 | ✓ Ro5 | ✓ Clean |
NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1
|
| CHEMBL224214 | P37340 | — | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
| CHEMBL284328 | P37340 | — | 394.3 Da LogP 1.14 TPSA 55.9 | ✓ Ro5 | Alert |
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]
|
| CHEMBL402140 | P37340 | — | 479.0 Da LogP 6.77 TPSA 63.8 | 1 viol. | ✓ Clean |
CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC…
|
| CPF | P37340 | — | 331.3 Da LogP 1.58 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4
|
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 |
|---|---|---|---|---|---|
| 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
|
| ZINC1530775 | 1.000 | 340.4 Da LogP 2.88 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1
|
| ZINC161387 | 1.000 | 204.6 Da LogP 2.16 TPSA 72.0 | ✓ Ro5 | Alert |
N#CC(C#N)=NNc1cccc(Cl)c1
|
| ZINC1705403 | 1.000 | 354.5 Da LogP 3.27 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1
|
| ZINC19632618 | 1.000 | 493.6 Da LogP 4.59 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(…
|
| ZINC2002226 | 1.000 | 321.4 Da LogP 1.81 TPSA 114.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1
|
| ZINC20220 | 1.000 | 331.3 Da LogP 1.58 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
|
| 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
|
| ZINC34034041 | 1.000 | 368.5 Da LogP 3.66 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
N=C(N)c1ccc(OCCCCCCCOc2ccc(C(=N)N)cc2)cc1
|
| ZINC3794794 | 1.000 | 444.5 Da LogP -0.14 TPSA 163.2 | 1 viol. | Alert |
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)…
|
| ZINC4448 | 1.000 | 293.4 Da LogP 3.13 TPSA 39.8 | ✓ Ro5 | ✓ Clean |
Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O
|
| ZINC538083 | 1.000 | 405.5 Da LogP 0.33 TPSA 122.6 | ✓ Ro5 | ✓ Clean |
Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n…
|
| ZINC57464 | 1.000 | 248.7 Da LogP 2.52 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
|
| 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
|
| ZINC75126 | 1.000 | 293.4 Da LogP 3.13 TPSA 39.8 | ✓ Ro5 | ✓ Clean |
Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O
|
| ZINC98208566 | 1.000 | 328.5 Da LogP 4.14 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](O)CO
|
| ZINC119632 | 0.971 | 314.4 Da LogP 4.13 TPSA 55.9 | ✓ Ro5 | Alert |
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
|
| 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
|
| ZINC22056448 | 0.887 | 440.6 Da LogP 4.79 TPSA 75.0 | ✓ Ro5 | ✓ Clean |
COc1cc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)…
|
| ZINC22056453 | 0.887 | 440.6 Da LogP 4.79 TPSA 75.0 | ✓ Ro5 | ✓ Clean |
COc1cc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C…
|
| ZINC32272342 | 0.887 | 440.6 Da LogP 4.79 TPSA 75.0 | ✓ Ro5 | ✓ Clean |
COc1cc([C@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)…
|
| ZINC32272344 | 0.887 | 440.6 Da LogP 4.79 TPSA 75.0 | ✓ Ro5 | ✓ Clean |
COc1cc([C@@](C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C…
|
| ZINC65739555 | 0.878 | 440.6 Da LogP 4.70 TPSA 64.0 | ✓ Ro5 | ✓ Clean |
COc1ccc(CCN(C)CC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)…
|
| ZINC65739557 | 0.878 | 440.6 Da LogP 4.70 TPSA 64.0 | ✓ Ro5 | ✓ Clean |
COc1ccc(CCN(C)CC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C…
|
| ZINC1665564 | 0.875 | 312.4 Da LogP 2.10 TPSA 118.2 | ✓ Ro5 | ✓ Clean |
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1
|
| ZINC21981222 | 0.845 | 479.6 Da LogP 4.25 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2…
|
| ZINC45322860 | 0.833 | 360.3 Da LogP 1.01 TPSA 118.9 | ✓ Ro5 | Alert |
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(F)c21
|
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.