| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 23 | No |
Popular Name: N-hydroxy-4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide N-hydroxy-4-(5-methyl-3-phenyl-i…
| 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) | 2.79 | 3.38 | -14.63 | 2 | 6 | 0 | 92 | 330.365 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 4.41 | -47.4 | 1 | 6 | -1 | 95 | 329.357 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| COX2-1-E | Cytochrome C Oxidase Subunit 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 40 | 0.45 | Binding ≤ 10μM |
| PGH2-4-E | Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic | Eukaryotes | 1100 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| COX2_HUMAN | P00403 | Cytochrome C Oxidase Subunit 2, Human | 40 | 0.45 | Binding ≤ 1μM |
| PGH2_HUMAN | P35354 | Cyclooxygenase-2, Human | 1100 | 0.36 | Binding ≤ 10μM |
| COX2_HUMAN | P00403 | Cytochrome C Oxidase Subunit 2, Human | 40 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Respiratory electron transport | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
