| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 26 | No |
Popular Name: 2-(quinolin-2-yl)acetic acid 2-(quinolin-2-yl)acetic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 284477-00-5
| 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) | 2.83 | 5.47 | -40.47 | 2 | 6 | -1 | 107 | 396.425 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 6.45 | -121.43 | 1 | 6 | -2 | 109 | 395.417 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP13-2-E | Matrix Metalloproteinase 13 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 820 | 0.33 | Binding ≤ 10μM |
| MMP14-2-E | Matrix Metalloproteinase 14 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.28 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 980 | 0.32 | Binding ≤ 10μM |
| MMP8-3-E | Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 260 | 0.35 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7100 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 820 | 0.33 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 260 | 0.35 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 980 | 0.32 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 820 | 0.33 | Binding ≤ 10μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 6000 | 0.28 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 260 | 0.35 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 7100 | 0.28 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 980 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EPH-ephrin mediated repulsion of cells | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.