| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 34 | Yes |
Popular Name: Gly-Arg-Gly-Asp-Ser Gly-Arg-Gly-Asp-Ser
Find On: PubMed — Wikipedia — Google
CAS Number: 96426-21-0
| 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) | -5.49 | -4.93 | -158.92 | 13 | 17 | 0 | 308 | 490.474 | 17 | ↓ |
| Ref Reference (pH 7) | -5.51 | -4.89 | -158.92 | 13 | 17 | 0 | 311 | 490.474 | 16 | ↓ |
| Hi High (pH 8-9.5) | -5.49 | -5.36 | -129.57 | 12 | 17 | -1 | 307 | 489.466 | 17 | ↓ |
| Hi High (pH 8-9.5) | -5.51 | -5.31 | -129.17 | 12 | 17 | -1 | 309 | 489.466 | 16 | ↓ |
| Lo Low (pH 4.5-6) | -5.49 | -6.94 | -128.64 | 14 | 17 | 1 | 305 | 491.482 | 17 | ↓ |
| Lo Low (pH 4.5-6) | -5.51 | -6.89 | -128.77 | 14 | 17 | 1 | 308 | 491.482 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic | Eukaryotes | 133 | 0.28 | Binding ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 133 | 0.28 | Binding ≤ 10μM |
| Z104292-1-O | Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other | Other | 750 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 120 | 0.28 | Binding ≤ 1μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 750 | 0.25 | Binding ≤ 1μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 120 | 0.28 | Binding ≤ 1μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 120 | 0.28 | Binding ≤ 10μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 750 | 0.25 | Binding ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 120 | 0.28 | Binding ≤ 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 |
