| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 27 | No |
Popular Name: Isovalerylshikonin Isovalerylshikonin
Find On: PubMed — Wikipedia — Google
CAS Number: 52387-14-1
| 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) | 4.17 | 1.59 | -11.04 | 2 | 6 | 0 | 100 | 372.417 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 107 | TCI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.32 | Binding ≤ 10μM |
| SOAT2-1-E | Acyl Coenzyme A:cholesterol Acyltransferase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 800 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 600 | 0.32 | Binding ≤ 1μM |
| SOAT2_HUMAN | O75908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Human | 800 | 0.32 | Binding ≤ 1μM |
| SOAT1_HUMAN | P35610 | Acyl Coenzyme A:cholesterol Acyltransferase 1, Human | 600 | 0.32 | Binding ≤ 10μM |
| SOAT2_HUMAN | O75908 | Acyl Coenzyme A:cholesterol Acyltransferase 2, Human | 800 | 0.32 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.