| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 33 | No |
| 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) | 2.55 | 6.11 | -22.99 | 3 | 8 | 0 | 105 | 462.428 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17-1-E | ADAM17 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 130 | 0.29 | Binding ≤ 10μM |
| ATS4-1-E | ADAMTS4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6700 | 0.22 | Binding ≤ 10μM |
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1900 | 0.24 | Binding ≤ 10μM |
| MMP12-1-E | Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.22 | Binding ≤ 10μM |
| Z102213-1-O | Blood (cluster #1 Of 2), Other | Other | 232 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17_HUMAN | P78536 | ADAM17, Human | 130 | 0.29 | Binding ≤ 1μM |
| ADA17_PIG | O77636 | ADAM17, Pig | 1.4 | 0.38 | Binding ≤ 1μM |
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 1000 | 0.25 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 130 | 0.29 | Binding ≤ 10μM |
| ADA17_PIG | O77636 | ADAM17, Pig | 1.4 | 0.38 | Binding ≤ 10μM |
| ATS4_HUMAN | O75173 | ADAMTS4, Human | 6700 | 0.22 | Binding ≤ 10μM |
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 1000 | 0.25 | Binding ≤ 10μM |
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 8000 | 0.22 | Binding ≤ 10μM |
| Z102213 | Z102213 | Blood | 232 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated NOTCH1 Transmits Signal to the Nucleus | |
| 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 | |
| O-glycosylation of TSR domain-containing proteins | |
| Regulated proteolysis of p75NTR | |
| Release of Hh-Np from the secreting cell | |
| Signaling by EGFR | |
| TNF signaling |
No pre-computed analogs available. Try a structural similarity search.