In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2005 | 28 | No |
Popular Name: 5-butyl-5-[4-(4-fluorophenoxy)phenoxy]-hexahydropyrimidine-2,4,6-trione 5-butyl-5-[4-(4-fluorophenoxy)ph…
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) | 3.85 | -0.7 | -8.01 | 2 | 7 | 0 | 93 | 386.379 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP13-1-E | Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.43 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 2 | 0.43 | Binding ≤ 1μM |
MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 2 | 0.43 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of Matrix Metalloproteinases | |
Assembly of collagen fibrils and other multimeric structures | |
Collagen degradation | |
Degradation of the extracellular matrix |