In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 36 | Yes |
Popular Name: methyl methyl
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) | 6.07 | 14 | -20.32 | 2 | 7 | 0 | 108 | 491.632 | 14 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CATG-1-E | Cathepsin G (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.23 | Binding ≤ 10μM |
CEL2A-2-E | Elastase 2A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4200 | 0.21 | Binding ≤ 10μM |
CTRB-1-E | Beta-chymotrypsin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.23 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CTRB_BOVIN | P00767 | Beta-chymotrypsin, Bovin | 1100 | 0.23 | Binding ≤ 10μM |
CATG_HUMAN | P08311 | Cathepsin G, Human | 1500 | 0.23 | Binding ≤ 10μM |
CEL2A_PIG | P08419 | Elastase 2A, Pig | 4200 | 0.21 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of Matrix Metalloproteinases | |
Degradation of the extracellular matrix | |
Metabolism of Angiotensinogen to Angiotensins | |
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |