| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 28 | 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) | 1.55 | 3.16 | -20.09 | 5 | 8 | 0 | 123 | 388.468 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 4.38 | -63.44 | 4 | 8 | -1 | 126 | 387.46 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.08e-02 g/l | DrugBank-experimental |
| Target | MMP | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA10-1-E | ADAM10 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| ADA12-1-E | ADAM12 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| ADA17-1-E | ADAM17 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| ADAM9-1-E | ADAM9 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 56 | 0.36 | Binding ≤ 10μM |
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| MMP10-1-E | Matrix Metalloproteinase 10 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.38 | Binding ≤ 10μM |
| MMP11-1-E | Matrix Metalloproteinase 11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.38 | Binding ≤ 10μM |
| MMP12-1-E | Macrophage Metalloelastase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| MMP13-1-E | Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| MMP14-1-E | Matrix Metalloproteinase 14 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.42 | Binding ≤ 10μM |
| MMP15-1-E | Matrix Metalloproteinase 15 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| MMP16-1-E | Matrix Metalloproteinase 16 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| MMP17-1-E | Matrix Metalloproteinase 17 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.41 | Binding ≤ 10μM |
| MMP26-1-E | Matrix Metalloproteinase 26 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.39 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.41 | Binding ≤ 10μM |
| MMP7-1-E | Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 33 | 0.37 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| MMP9-2-E | Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 7 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA10_HUMAN | O14672 | ADAM10, Human | 263 | 0.33 | Binding ≤ 1μM |
| ADA12_HUMAN | O43184 | ADAM12, Human | 5.93 | 0.41 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 13.1 | 0.39 | Binding ≤ 1μM |
| ADAM9_HUMAN | Q13443 | ADAM9, Human | 1 | 0.45 | Binding ≤ 1μM |
| MMP10_HUMAN | P09238 | Matrix Metalloproteinase 10, Human | 26 | 0.38 | Binding ≤ 1μM |
| MMP11_HUMAN | P24347 | Matrix Metalloproteinase 11, Human | 26 | 0.38 | Binding ≤ 1μM |
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 1 | 0.45 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 5.2 | 0.41 | Binding ≤ 1μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 13.4 | 0.39 | Binding ≤ 1μM |
| MMP15_HUMAN | P51511 | Matrix Metalloproteinase 15, Human | 6 | 0.41 | Binding ≤ 1μM |
| MMP16_HUMAN | P51512 | Matrix Metalloproteinase 16, Human | 8 | 0.40 | Binding ≤ 1μM |
| MMP17_HUMAN | Q9ULZ9 | Matrix Metalloproteinase 17, Human | 3.4 | 0.42 | Binding ≤ 1μM |
| MMP26_HUMAN | Q9NRE1 | Matrix Metalloproteinase 26, Human | 17 | 0.39 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 0.191 | 0.49 | Binding ≤ 1μM |
| MMP7_HUMAN | P09237 | Matrix Metalloproteinase 7, Human | 33 | 0.37 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 0.18 | 0.49 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 0.2 | 0.48 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 0.4 | 0.47 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 0.104 | 0.50 | Binding ≤ 1μM |
| ADA10_HUMAN | O14672 | ADAM10, Human | 263 | 0.33 | Binding ≤ 10μM |
| ADA12_HUMAN | O43184 | ADAM12, Human | 5.93 | 0.41 | Binding ≤ 10μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 13.1 | 0.39 | Binding ≤ 10μM |
| ADAM9_HUMAN | Q13443 | ADAM9, Human | 1 | 0.45 | Binding ≤ 10μM |
| MMP10_HUMAN | P09238 | Matrix Metalloproteinase 10, Human | 26 | 0.38 | Binding ≤ 10μM |
| MMP11_HUMAN | P24347 | Matrix Metalloproteinase 11, Human | 26 | 0.38 | Binding ≤ 10μM |
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 1 | 0.45 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 5.2 | 0.41 | Binding ≤ 10μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 13.4 | 0.39 | Binding ≤ 10μM |
| MMP15_HUMAN | P51511 | Matrix Metalloproteinase 15, Human | 6 | 0.41 | Binding ≤ 10μM |
| MMP16_HUMAN | P51512 | Matrix Metalloproteinase 16, Human | 8 | 0.40 | Binding ≤ 10μM |
| MMP17_HUMAN | Q9ULZ9 | Matrix Metalloproteinase 17, Human | 3.4 | 0.42 | Binding ≤ 10μM |
| MMP26_HUMAN | Q9NRE1 | Matrix Metalloproteinase 26, Human | 17 | 0.39 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 0.191 | 0.49 | Binding ≤ 10μM |
| MMP7_HUMAN | P09237 | Matrix Metalloproteinase 7, Human | 33 | 0.37 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 0.18 | 0.49 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 0.2 | 0.48 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 0.4 | 0.47 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 0.104 | 0.50 | 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 | |
| NOTCH2 Activation and Transmission of Signal to the Nucleus | |
| 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 NOTCH3 | |
| Signaling by NOTCH4 | |
| Signaling by SCF-KIT | |
| TNF signaling |
No pre-computed analogs available. Try a structural similarity search.