| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 24 | Yes |
| 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) | 1.68 | 6.66 | -76.73 | 6 | 7 | 0 | 133 | 326.356 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 6.2 | -60.71 | 5 | 7 | -1 | 134 | 325.348 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic | Eukaryotes | 93 | 0.41 | Binding ≤ 10μM |
| ITAV-1-E | Vitronectin Receptor Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 758 | 0.36 | Binding ≤ 10μM |
| ITB1-1-E | Fibronectin Receptor Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 758 | 0.36 | Binding ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 93 | 0.41 | Binding ≤ 10μM |
| ITB5-1-E | Integrin Beta-5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 135 | 0.40 | Binding ≤ 10μM |
| Z104292-1-O | Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other | Other | 21 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITB1_HUMAN | P05556 | Fibronectin Receptor Beta, Human | 758 | 0.36 | Binding ≤ 1μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 93 | 0.41 | Binding ≤ 1μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 10.9 | 0.46 | Binding ≤ 1μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 93 | 0.41 | Binding ≤ 1μM |
| ITB5_HUMAN | P18084 | Integrin Beta-5, Human | 135 | 0.40 | Binding ≤ 1μM |
| ITAV_HUMAN | P06756 | Vitronectin Receptor Alpha, Human | 135 | 0.40 | Binding ≤ 1μM |
| ITB1_HUMAN | P05556 | Fibronectin Receptor Beta, Human | 758 | 0.36 | Binding ≤ 10μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 93 | 0.41 | Binding ≤ 10μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 10.9 | 0.46 | Binding ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 93 | 0.41 | Binding ≤ 10μM |
| ITB5_HUMAN | P18084 | Integrin Beta-5, Human | 135 | 0.40 | Binding ≤ 10μM |
| ITAV_HUMAN | P06756 | Vitronectin Receptor Alpha, Human | 135 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Basigin interactions | |
| Cell surface interactions at the vascular wall | |
| CHL1 interactions | |
| Cross-presentation of particulate exogenous antigens (phagosomes) | |
| ECM proteoglycans | |
| Elastic fibre formation | |
| Fibronectin matrix formation | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Laminin interactions | |
| Localization of the PINCH-ILK-PARVIN complex to focal adhesions | |
| Molecules associated with elastic fibres | |
| Other semaphorin interactions | |
| p130Cas linkage to MAPK signaling for integrins | |
| PECAM1 interactions | |
| Platelet Adhesion to exposed collagen | |
| Platelet degranulation | |
| Signal transduction by L1 | |
| Smooth Muscle Contraction | |
| Syndecan interactions | |
| VEGFA-VEGFR2 Pathway |
