| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 26 | No |
Popular Name: 4-fluoro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide 4-fluoro-N-[5-[(4-nitrophenyl)me…
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| 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) | 3.98 | 9.89 | -20.1 | 1 | 7 | 0 | 101 | 390.421 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.05 | 8.99 | -41 | 0 | 7 | -1 | 107 | 389.413 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 210 | 0.36 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 170 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 210 | 0.36 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 170 | 0.36 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 210 | 0.36 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 170 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CDO in myogenesis | |
| Factors involved in megakaryocyte development and platelet production | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Role of Abl in Robo-Slit signaling | |
| Signaling by ERBB2 |
