| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 42 | 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) | -1.75 | -11.08 | -77.02 | 9 | 15 | 0 | 240 | 588.666 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA5-2-E | Fibronectin Receptor Alpha (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.26 | Binding ≤ 10μM |
| ITAV-1-E | Vitronectin Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.29 | Binding ≤ 10μM |
| ITB5-1-E | Integrin Beta-5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.29 | Binding ≤ 10μM |
| Z104292-1-O | Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other | Other | 19 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA5_HUMAN | P08648 | Fibronectin Receptor Alpha, Human | 14 | 0.26 | Binding ≤ 1μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 0.6 | 0.31 | Binding ≤ 1μM |
| ITB5_HUMAN | P18084 | Integrin Beta-5, Human | 0.13 | 0.33 | Binding ≤ 1μM |
| ITAV_HUMAN | P06756 | Vitronectin Receptor Alpha, Human | 0.13 | 0.33 | Binding ≤ 1μM |
| ITA5_HUMAN | P08648 | Fibronectin Receptor Alpha, Human | 14 | 0.26 | Binding ≤ 10μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 0.6 | 0.31 | Binding ≤ 10μM |
| ITB5_HUMAN | P18084 | Integrin Beta-5, Human | 0.13 | 0.33 | Binding ≤ 10μM |
| ITAV_HUMAN | P06756 | Vitronectin Receptor Alpha, Human | 0.13 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| Cross-presentation of particulate exogenous antigens (phagosomes) | |
| ECM proteoglycans | |
| Elastic fibre formation | |
| Fibronectin matrix formation | |
| Integrin cell surface interactions | |
| Laminin interactions | |
| Molecules associated with elastic fibres | |
| PECAM1 interactions | |
| Signal transduction by L1 | |
| Smooth Muscle Contraction | |
| Syndecan interactions | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.