| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 27 | Yes |
Popular Name: N2-[4-(propylsulfonyl)phenyl]-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide N2-[4-(propylsulfonyl)phenyl]-5-…
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CAS Number: 404964-12-1
| 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) | 4.74 | 6.17 | -49.58 | 0 | 5 | -1 | 82 | 442.991 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CMA1-1-E | Mast Cell Protease 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 909 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CMA1_HUMAN | P23946 | Chymase, Human | 909 | 0.31 | Binding ≤ 1μM |
| CMA1_HUMAN | P23946 | Chymase, Human | 909 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Metabolism of Angiotensinogen to Angiotensins | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.