| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 27 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.51 | 2.32 | -16.44 | 4 | 8 | 0 | 119 | 385.505 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 3.4 | -55.95 | 3 | 8 | -1 | 122 | 384.497 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.03e+00 g/l | DrugBank-experimental |
| therap | antibacterial | MicroSource Spectrum |
| Therapy | antibiotic | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DEF-1-B | Peptide Deformylase (cluster #1 Of 1), Bacterial | Bacteria | 5 | 0.43 | Binding ≤ 10μM |
| Q9JN24-1-B | Peptide Deformylase (cluster #1 Of 1), Bacterial | Bacteria | 140 | 0.36 | Binding ≤ 10μM |
| DEF1A-1-E | Peptide Deformylase 1A, Chloroplastic (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.39 | Binding ≤ 10μM |
| DEFM-1-E | Peptide Deformylase Mitochondrial (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.32 | Binding ≤ 10μM |
| ECE1-1-E | Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.28 | Binding ≤ 10μM |
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.34 | Binding ≤ 10μM |
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.31 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.29 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1700 | 0.30 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.27 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 190 | 0.35 | Binding ≤ 10μM |
| MMP9-2-E | Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 330 | 0.34 | Binding ≤ 10μM |
| NEP-2-E | Neprilysin (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8200 | 0.26 | Binding ≤ 10μM |
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 2512 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 190 | 0.35 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 330 | 0.34 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 300 | 0.34 | Binding ≤ 1μM |
| DEF_STAAM | P68825 | Peptide Deformylase, Staam | 5 | 0.43 | Binding ≤ 1μM |
| DEF_ECOLI | P0A6K3 | Peptide Deformylase, Ecoli | 10 | 0.41 | Binding ≤ 1μM |
| Q9JN24_ECOLX | Q9JN24 | Peptide Deformylase, Ecolx | 140 | 0.36 | Binding ≤ 1μM |
| DEF1A_ARATH | Q9FV53 | Peptide Deformylase 1A, Chloroplastic, Arath | 27 | 0.39 | Binding ≤ 1μM |
| DEFM_HUMAN | Q9HBH1 | Peptide Deformylase Mitochondrial, Human | 0.3 | 0.49 | Binding ≤ 1μM |
| ECE1_HUMAN | P42892 | Endothelin-converting Enzyme 1, Human | 4000 | 0.28 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 1700 | 0.30 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 190 | 0.35 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 330 | 0.34 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 300 | 0.34 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 3000 | 0.29 | Binding ≤ 10μM |
| NEP_HUMAN | P08473 | Neprilysin, Human | 6700 | 0.27 | Binding ≤ 10μM |
| DEF_ECOLI | P0A6K3 | Peptide Deformylase, Ecoli | 10 | 0.41 | Binding ≤ 10μM |
| Q9JN24_ECOLX | Q9JN24 | Peptide Deformylase, Ecolx | 140 | 0.36 | Binding ≤ 10μM |
| DEF_STAAM | P68825 | Peptide Deformylase, Staam | 5 | 0.43 | Binding ≤ 10μM |
| DEF1A_ARATH | Q9FV53 | Peptide Deformylase 1A, Chloroplastic, Arath | 27 | 0.39 | Binding ≤ 10μM |
| DEFM_HUMAN | Q9HBH1 | Peptide Deformylase Mitochondrial, Human | 0.3 | 0.49 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| Metabolism of Angiotensinogen to Angiotensins | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
