| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 27 | No |
Popular Name: (3S)-2,2-dimethyl-4-(4-penta-2,4-diynoxyphenyl)sulfonyl-thiomorpholine-3-carbohydroxamic (3S)-2,2-dimethyl-4-(4-penta-2,4…
| 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) | 2.04 | 5.66 | -23.39 | 2 | 7 | 0 | 96 | 408.501 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 5.29 | -54.67 | 1 | 7 | -1 | 102 | 407.493 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.87 | -64.1 | 1 | 7 | -1 | 99 | 407.493 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17-2-E | ADAM17 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 42 | 0.38 | Binding ≤ 10μM |
| MMP1-1-E | Matrix Metalloproteinase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.43 | Binding ≤ 10μM |
| MMP13-3-E | Matrix Metalloproteinase 13 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 11 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17_HUMAN | P78536 | ADAM17, Human | 42 | 0.38 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 11 | 0.41 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 6 | 0.43 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 42 | 0.38 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 11 | 0.41 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 6 | 0.43 | 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 | |
| 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 | |
| TNF signaling |
