| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 35 | 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) | -0.41 | 7.38 | -91.4 | 6 | 11 | 0 | 176 | 486.573 | 11 | ↓ |
| Ref Reference (pH 7) | -0.28 | 8.12 | -87.92 | 6 | 11 | 0 | 173 | 486.573 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -0.41 | 6.25 | -65.27 | 7 | 11 | 1 | 173 | 487.581 | 11 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 6.12 | -58.34 | 7 | 11 | 1 | 171 | 487.581 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic | Eukaryotes | 271 | 0.26 | Binding ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 271 | 0.26 | Binding ≤ 10μM |
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 2), Eukaryotic | Eukaryotes | 720 | 0.25 | Functional ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 720 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 271 | 0.26 | Binding ≤ 1μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 271 | 0.26 | Binding ≤ 1μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 271 | 0.26 | Binding ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 271 | 0.26 | Binding ≤ 10μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 720 | 0.25 | Functional ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 720 | 0.25 | 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 |
