| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 34 | 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) | -0.87 | 5.46 | -99.59 | 3 | 9 | 0 | 122 | 471.602 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.87 | 7.4 | -87.13 | 3 | 9 | 0 | 119 | 471.602 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 9.22 | -178.7 | 5 | 9 | 2 | 125 | 473.618 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 7.71 | -159.32 | 4 | 9 | 1 | 123 | 472.61 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 5.91 | -123.33 | 4 | 9 | 1 | 124 | 472.61 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 450 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 0.65 | 0.38 | Binding ≤ 1μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 0.65 | 0.38 | Binding ≤ 1μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 0.65 | 0.38 | Binding ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 0.65 | 0.38 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 450 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ECM proteoglycans | |
| Elastic fibre formation | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Molecules associated with elastic fibres | |
| p130Cas linkage to MAPK signaling for integrins | |
| PECAM1 interactions | |
| Platelet degranulation | |
| Signal transduction by L1 | |
| Syndecan interactions | |
| VEGFA-VEGFR2 Pathway |
