In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 32 | No |
Popular Name: (2R)-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-(4-hydroxyphenyl)propanehydroxamic (2R)-2-[benzyl-(4-methoxyphenyl)…
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) | 2.81 | 4.93 | -27.37 | 3 | 8 | 0 | 116 | 456.52 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 6.14 | -68.9 | 2 | 8 | -1 | 119 | 455.512 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 2.83 | -49.74 | 2 | 8 | -1 | 122 | 455.512 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 65 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 65 | 0.31 | Binding ≤ 1μM |
MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 65 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of Matrix Metalloproteinases | |
Assembly of collagen fibrils and other multimeric structures | |
Collagen degradation | |
Degradation of the extracellular matrix | |
EGFR Transactivation by Gastrin |