| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 40 | No |
Popular Name: BRD-A18417645-001-05-3 BRD-A18417645-001-05-3
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) | 2.83 | -0.51 | -18.19 | 3 | 8 | 0 | 138 | 558.712 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITAL-2-E | Integrin Alpha-L (cluster #2 Of 2), Eukaryotic | Eukaryotes | 300 | 0.23 | Binding ≤ 10μM |
| STAT3-2-E | Signal Transducer And Activator Of Transcription 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.19 | Binding ≤ 10μM |
| Z80224-2-O | MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other | Other | 780 | 0.21 | Functional ≤ 10μM |
| Z80682-3-O | A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other | Other | 10 | 0.28 | Functional ≤ 10μM |
| Z81020-2-O | HepG2 (Hepatoblastoma Cells) (cluster #2 Of 8), Other | Other | 760 | 0.21 | Functional ≤ 10μM |
| Z81247-4-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #4 Of 9), Other | Other | 800 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 300 | 0.23 | Binding ≤ 1μM |
| ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 300 | 0.23 | Binding ≤ 10μM |
| STAT3_HUMAN | P40763 | Signal Transducer And Activator Of Transcription 3, Human | 3000 | 0.19 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 10 | 0.28 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 800 | 0.21 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 760 | 0.21 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 780 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| Downstream signal transduction | |
| Growth hormone receptor signaling | |
| Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
| Integrin cell surface interactions | |
| Interleukin-6 signaling | |
| POU5F1 (OCT4), SOX2, NANOG activate genes related to proliferation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Signalling to STAT3 | |
| Transcriptional regulation of pluripotent stem cells |
