| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 35 | No |
6576-51-8; D05916; Herperal (TN); Stallimycin hydrochloride (USAN)
| 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) | -1.04 | 2.11 | -51.46 | 8 | 13 | 1 | 183 | 482.525 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 20 | 0.31 | Binding ≤ 10μM |
| ESR2-3-E | Estrogen Receptor Beta (cluster #3 Of 4), Eukaryotic | Eukaryotes | 20 | 0.31 | Binding ≤ 10μM |
| RASH-1-E | Transforming Protein P21/H-Ras-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.27 | Binding ≤ 10μM |
| TOP1-1-E | DNA Topoisomerase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2700 | 0.22 | Binding ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 5000 | 0.21 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 9640 | 0.20 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 8400 | 0.20 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 20 | 0.31 | Binding ≤ 1μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 20 | 0.31 | Binding ≤ 1μM |
| RASH_HUMAN | P01112 | Transforming Protein P21/H-Ras-1, Human | 200 | 0.27 | Binding ≤ 1μM |
| TOP1_HUMAN | P11387 | DNA Topoisomerase I, Human | 2700 | 0.22 | Binding ≤ 10μM |
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 20 | 0.31 | Binding ≤ 10μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 20 | 0.31 | Binding ≤ 10μM |
| RASH_HUMAN | P01112 | Transforming Protein P21/H-Ras-1, Human | 200 | 0.27 | Binding ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1000 | 0.24 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 8400 | 0.20 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 0.42 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of RAS in B cells | |
| DAP12 signaling | |
| Downstream signal transduction | |
| EGFR Transactivation by Gastrin | |
| EPHB-mediated forward signaling | |
| FCERI mediated MAPK activation | |
| FRS2-mediated cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| Interleukin receptor SHC signaling | |
| MEK activation | |
| NCAM signaling for neurite out-growth | |
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 | |
| p38MAPK events | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| SHC-mediated cascade | |
| SHC-mediated signalling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| SHC1 events in ERBB4 signaling | |
| Signaling by constitutively active EGFR | |
| Signaling by FGFR mutants | |
| Signaling by SCF-KIT | |
| Signalling to RAS | |
| SOS-mediated signalling | |
| Tie2 Signaling | |
| VEGFR2 mediated cell proliferation |
