| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 20 | Yes |
| 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) | 2.90 | 4.81 | -12.9 | 2 | 4 | 0 | 66 | 262.268 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGM2-1-E | Protein-glutamine Gamma-glutamyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.36 | Binding ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 6700 | 0.36 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 1600 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TGM2_HUMAN | P21980 | Protein-glutamine Gamma-glutamyltransferase, Human | 8000 | 0.36 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 6700 | 0.36 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 1600 | 0.41 | Functional ≤ 10μM |
