| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2007 | 27 | No |
Popular Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-methyl-butanehydroxamic 2-[benzyl-(4-methoxyphenyl)sulfo…
| 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) | 2.60 | 4.68 | -14.8 | 2 | 7 | 0 | 96 | 392.477 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 3.83 | -47.27 | 1 | 7 | -1 | 102 | 391.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 5.32 | -49.95 | 1 | 7 | -1 | 99 | 391.469 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 185 | 0.35 | Binding ≤ 10μM |
| MMP1-1-E | Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 43 | 0.38 | Binding ≤ 10μM |
| MMP12-1-E | Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 16 | 0.40 | Binding ≤ 10μM |
| MMP13-3-E | Matrix Metalloproteinase 13 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 17 | 0.40 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 17 | 0.40 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 92 | 0.36 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 17 | 0.40 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.35 | Binding ≤ 1μM |
| MMP12_MOUSE | P34960 | Matrix Metalloproteinase 12, Mouse | 16 | 0.40 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 17 | 0.40 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 92 | 0.36 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 13 | 0.41 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 17 | 0.40 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 17 | 0.40 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 11 | 0.41 | Binding ≤ 1μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 185 | 0.35 | Binding ≤ 10μM |
| MMP12_MOUSE | P34960 | Matrix Metalloproteinase 12, Mouse | 16 | 0.40 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 17 | 0.40 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 92 | 0.36 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 13 | 0.41 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 17 | 0.40 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 17 | 0.40 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 11 | 0.41 | 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 | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Reversible hydration of carbon dioxide | |
| Signaling by SCF-KIT |
