| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 21 | No |
Popular Name: N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID N-ISOBUTYL-N-[4-METHOXYPHENYLSUL…
| 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) | 1.22 | 1.23 | -22.17 | 2 | 7 | 0 | 96 | 316.379 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 2.41 | -64.1 | 1 | 7 | -1 | 99 | 315.371 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.69e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17-2-E | ADAM17 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.38 | Binding ≤ 10μM |
| MMP1-1-E | Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.43 | Binding ≤ 10μM |
| MMP12-1-E | Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.56 | Binding ≤ 10μM |
| MMP13-2-E | Matrix Metalloproteinase 13 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3 | 0.57 | Binding ≤ 10μM |
| MMP14-2-E | Matrix Metalloproteinase 14 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 13 | 0.53 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.53 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 133 | 0.46 | Binding ≤ 10μM |
| MMP8-3-E | Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9 | 0.54 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 4.3 | 0.56 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 3.1 | 0.57 | Binding ≤ 1μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 13 | 0.53 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 133 | 0.46 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 9 | 0.54 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 4.8 | 0.55 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 174 | 0.45 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 13 | 0.53 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 2300 | 0.38 | Binding ≤ 10μM |
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 4.3 | 0.56 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 3.1 | 0.57 | Binding ≤ 10μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 13 | 0.53 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 133 | 0.46 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 9 | 0.54 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 4.8 | 0.55 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 174 | 0.45 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 13 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activated NOTCH1 Transmits Signal to the Nucleus | |
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Constitutive Signaling by NOTCH1 HD Domain Mutants | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 t(7;9)(NOTCH1:M1580_K2555) Translocation Mutant | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| Growth hormone receptor signaling | |
| Nuclear signaling by ERBB4 | |
| Regulated proteolysis of p75NTR | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Release of Hh-Np from the secreting cell | |
| Signaling by EGFR | |
| Signaling by SCF-KIT | |
| TNF signaling |
No pre-computed analogs available. Try a structural similarity search.