| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 32 | No |
Popular Name: A-286982 A-286982
| 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) | 4.11 | 1.61 | -25.31 | 0 | 7 | 0 | 86 | 453.564 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ICAM1-1-E | Intercellular Adhesion Molecule-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 44 | 0.32 | Binding ≤ 10μM |
| ITAL-1-E | Integrin Alpha-L (cluster #1 Of 2), Eukaryotic | Eukaryotes | 44 | 0.32 | Binding ≤ 10μM |
| ITB2-1-E | Integrin Beta-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 44 | 0.32 | Binding ≤ 10μM |
| ICAM1-1-E | Intercellular Adhesion Molecule-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 44 | 0.32 | Functional ≤ 10μM |
| ITAL-1-E | Leukocyte Adhesion Glycoprotein LFA-1 Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 44 | 0.32 | Functional ≤ 10μM |
| ITB2-1-E | Integrin Beta-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 44 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITB2_HUMAN | P05107 | Integrin Beta-2, Human | 44 | 0.32 | Binding ≤ 1μM |
| ICAM1_HUMAN | P05362 | Intercellular Adhesion Molecule-1, Human | 44 | 0.32 | Binding ≤ 1μM |
| ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 44 | 0.32 | Binding ≤ 1μM |
| ITB2_HUMAN | P05107 | Integrin Beta-2, Human | 44 | 0.32 | Binding ≤ 10μM |
| ICAM1_HUMAN | P05362 | Intercellular Adhesion Molecule-1, Human | 44 | 0.32 | Binding ≤ 10μM |
| ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 44 | 0.32 | Binding ≤ 10μM |
| ITB2_HUMAN | P05107 | Integrin Beta-2, Human | 30 | 0.33 | Functional ≤ 10μM |
| ICAM1_HUMAN | P05362 | Intercellular Adhesion Molecule-1, Human | 35 | 0.33 | Functional ≤ 10μM |
| ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 30 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
| Integrin cell surface interactions | |
| Interferon gamma signaling | |
| Toll Like Receptor 4 (TLR4) Cascade |
