In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 31 | No |
Popular Name: (2S)-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenyl-propanehydroxamic (2S)-2-[benzyl-(4-methoxyphenyl)…
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) | 3.29 | 6.77 | -19.5 | 2 | 7 | 0 | 96 | 440.521 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 6.58 | -53.15 | 1 | 7 | -1 | 102 | 439.513 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 7.98 | -59.03 | 1 | 7 | -1 | 99 | 439.513 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5455258; US5506242; US5552419; US5646167; WO1996000214A1; WO1996040101A1 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 71 | 0.32 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 71 | 0.32 | Binding ≤ 1μM |
MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 71 | 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 | |
EGFR Transactivation by Gastrin |