In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2004 | 24 | Yes |
Popular Name: thiophene-2-carboxylic-acid-(5-amino-1-tosyl-pyrazol-3-yl)-ester thiophene-2-carboxylic-acid-(5-a…
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) | 2.90 | 4.86 | -17.88 | 2 | 7 | 0 | 104 | 363.42 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CATB-1-E | Cathepsin B (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1990 | 0.33 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CATB_HUMAN | P07858 | Cathepsin B, Human | 1990 | 0.33 | Binding ≤ 10μM |
Description | Species |
---|---|
Assembly of collagen fibrils and other multimeric structures | |
Collagen degradation | |
MHC class II antigen presentation | |
Trafficking and processing of endosomal TLR |