In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 44 | No |
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) | 5.89 | 17.89 | -17.18 | 1 | 7 | 0 | 79 | 591.752 | 11 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ICAM1-1-E | Intercellular Adhesion Molecule-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6600 | 0.16 | Binding ≤ 10μM |
ITAL-1-E | Integrin Alpha-L (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6600 | 0.16 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ICAM1_HUMAN | P05362 | Intercellular Adhesion Molecule-1, Human | 6600 | 0.16 | Binding ≤ 10μM |
ITAL_HUMAN | P20701 | Leukocyte Adhesion Glycoprotein LFA-1 Alpha, Human | 6600 | 0.16 | Binding ≤ 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 |