| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 15 | No |
Popular Name: Carbamic acid, [(1S)-1-formyl-3-methyl-3-butenyl]-, 1,1-dimethylethyl ester Carbamic acid, [(1S)-1-formyl-3-…
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CAS Numbers: 314772-14-0 , 666718-86-1
| 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) | 4.20 | 4.26 | -10.13 | 1 | 4 | 0 | 55 | 213.277 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK-2-E | Cathepsin K (cluster #2 Of 3), Eukaryotic | Eukaryotes | 79 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATK_HUMAN | P43235 | Cathepsin K, Human | 79 | 0.66 | Binding ≤ 1μM |
| CATK_HUMAN | P43235 | Cathepsin K, Human | 79 | 0.66 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| MHC class II antigen presentation | |
| Trafficking and processing of endosomal TLR |
No pre-computed analogs available. Try a structural similarity search.