| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: 9-[3-(tert-butylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine 9-[3-(tert-butylamino)propyl]-8-…
None
| 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) | 5.06 | 9.78 | -43.5 | 4 | 7 | 1 | 95 | 513.429 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 10.03 | -95.4 | 5 | 7 | 2 | 97 | 514.437 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 5.67 | -83.02 | 5 | 7 | 2 | 97 | 514.437 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 140 | 0.34 | Binding ≤ 10μM |
| HS90B-2-E | Heat Shock Protein HSP 90-beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.39 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 200 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 14 | 0.39 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 140 | 0.34 | Binding ≤ 1μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 14 | 0.39 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 140 | 0.34 | Binding ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 200 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Attenuation phase | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downregulation of ERBB2:ERBB3 signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Sema3A PAK dependent Axon repulsion | |
| Sema4D induced cell migration and growth-cone collapse | |
| SHC1 events in ERBB2 signaling | |
| Signaling by ERBB2 | |
| The NLRP3 inflammasome |
No pre-computed analogs available. Try a structural similarity search.
