| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 33 | No |
None
| 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) | 2.44 | 6.6 | -59.79 | 3 | 8 | 1 | 110 | 470.571 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.47 | -61.66 | 1 | 8 | -1 | 112 | 468.555 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 4.17 | -29.17 | 2 | 8 | 0 | 109 | 469.563 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 6.98 | -89.02 | 4 | 8 | 2 | 111 | 471.579 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17-2-E | ADAM17 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
| MMP13-1-E | Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1708 | 0.24 | Binding ≤ 10μM |
| ADA17-1-E | ADAM17 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 180 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17_HUMAN | P78536 | ADAM17, Human | 1 | 0.38 | Binding ≤ 1μM |
| ADA17_PIG | O77636 | ADAM17, Pig | 1 | 0.38 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 1 | 0.38 | Binding ≤ 10μM |
| ADA17_PIG | O77636 | ADAM17, Pig | 1 | 0.38 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 1708 | 0.24 | Binding ≤ 10μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 180 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated NOTCH1 Transmits Signal to the Nucleus | |
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| 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 | |
| Release of Hh-Np from the secreting cell | |
| Signaling by EGFR | |
| TNF signaling |
