| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 24 | No |
Popular Name: (2S)-2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]butanedioic (2S)-2-[[2-[[(2S)-2-amino-5-guan…
| 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) | -4.93 | -2.53 | -153.33 | 10 | 12 | 0 | 232 | 346.344 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA2B-1-E | Integrin Alpha-IIb (cluster #1 Of 1), Eukaryotic | Eukaryotes | 76 | 0.42 | Binding ≤ 10μM |
| ITA5-2-E | Fibronectin Receptor Alpha (cluster #2 Of 2), Eukaryotic | Eukaryotes | 510 | 0.37 | Binding ≤ 10μM |
| ITB3-1-E | Integrin Beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 76 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITA5_HUMAN | P08648 | Fibronectin Receptor Alpha, Human | 510 | 0.37 | Binding ≤ 1μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 510 | 0.37 | Binding ≤ 1μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 510 | 0.37 | Binding ≤ 1μM |
| ITA5_HUMAN | P08648 | Fibronectin Receptor Alpha, Human | 510 | 0.37 | Binding ≤ 10μM |
| ITA2B_HUMAN | P08514 | Integrin Alpha-IIb, Human | 1400 | 0.34 | Binding ≤ 10μM |
| ITB3_HUMAN | P05106 | Integrin Beta-3, Human | 1400 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cell surface interactions at the vascular wall | |
| ECM proteoglycans | |
| Elastic fibre formation | |
| Fibronectin matrix 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 |
