| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 23 | No |
Popular Name: (2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-N-[(1S,2R)-2-hydroxyindan-1-yl]-4-methyl-pentanamide (2R)-2-[2-(hydroxyamino)-2-oxo-e…
| 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) | 1.43 | 2 | -15.35 | 4 | 6 | 0 | 99 | 320.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.21 | -55.61 | 3 | 6 | -1 | 101 | 319.381 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS4-1-E | ADAMTS4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.35 | Binding ≤ 10μM |
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.35 | Binding ≤ 10μM |
| MMP1-1-E | Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 82 | 0.43 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 73 | 0.43 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 37 | 0.45 | Binding ≤ 10μM |
| MMP9-2-E | Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 162 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 37 | 0.45 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 162 | 0.41 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 82 | 0.43 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 73 | 0.43 | Binding ≤ 1μM |
| ATS4_HUMAN | O75173 | ADAMTS4, Human | 1700 | 0.35 | Binding ≤ 10μM |
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 1700 | 0.35 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 37 | 0.45 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 162 | 0.41 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 82 | 0.43 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 73 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EPH-ephrin mediated repulsion of cells | |
| O-glycosylation of TSR domain-containing proteins | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
