| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 44 | No |
Popular Name: 120298-30-8; C08545; Squamocin 120298-30-8; C08545; Squamocin
Find On: PubMed — Wikipedia — Google
CAS Number: 120298-30-8
| 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) | 8.80 | 15.42 | -14.4 | 3 | 7 | 0 | 105 | 622.928 | 25 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUOX2-1-E | Thyroid Oxidase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.29 | Binding ≤ 10μM |
| Z80193-3-O | L1210 (Lymphocytic Leukemia Cells) (cluster #3 Of 12), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 1 | 0.29 | Functional ≤ 10μM |
| Z80583-5-O | Vero (Kidney Cells) (cluster #5 Of 7), Other | Other | 16 | 0.25 | Functional ≤ 10μM |
| Z81247-3-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #3 Of 9), Other | Other | 10 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DUOX2_HUMAN | Q9NRD8 | Thyroid Oxidase 2, Human | 0.59 | 0.29 | Binding ≤ 1μM |
| DUOX2_HUMAN | Q9NRD8 | Thyroid Oxidase 2, Human | 0.59 | 0.29 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 9.7 | 0.25 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 0.25 | 0.31 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 0.5 | 0.30 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 16 | 0.25 | Functional ≤ 10μM |
