| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 28 | Yes |
Popular Name: LckInhibitor LckInhibitor
Find On: PubMed — Wikipedia — Google
CAS Number: 213743-31-8
| 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) | 5.10 | 13.4 | -8.75 | 2 | 5 | 0 | 66 | 370.456 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000017203A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK-1-E | Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 66 | 0.36 | Binding ≤ 10μM |
| CSK-1-E | Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5180 | 0.26 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3200 | 0.27 | Binding ≤ 10μM |
| FYN-1-E | Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic | Eukaryotes | 126 | 0.34 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 16 | 0.39 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.32 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 70 | 0.36 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9070 | 0.25 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4440 | 0.27 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.28 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 800 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 66 | 0.36 | Binding ≤ 1μM |
| BLK_MOUSE | P16277 | Tyrosine-protein Kinase BLK, Mouse | 66 | 0.36 | Binding ≤ 1μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 126 | 0.34 | Binding ≤ 1μM |
| LCK_MOUSE | P06240 | Tyrosine-protein Kinase LCK, Mouse | 16 | 0.39 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 1 | 0.45 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 420 | 0.32 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 560 | 0.31 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 3200 | 0.27 | Binding ≤ 10μM |
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 66 | 0.36 | Binding ≤ 10μM |
| BLK_MOUSE | P16277 | Tyrosine-protein Kinase BLK, Mouse | 66 | 0.36 | Binding ≤ 10μM |
| CSK_HUMAN | P41240 | Tyrosine-protein Kinase CSK, Human | 5180 | 0.26 | Binding ≤ 10μM |
| FYN_HUMAN | P06241 | Tyrosine-protein Kinase FYN, Human | 126 | 0.34 | Binding ≤ 10μM |
| LCK_MOUSE | P06240 | Tyrosine-protein Kinase LCK, Mouse | 1070 | 0.30 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 1 | 0.45 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 420 | 0.32 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 560 | 0.31 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 1980 | 0.29 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1570 | 0.29 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1500 | 0.29 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| DCC mediated attractive signaling | |
| Downstream TCR signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Ephrin signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| NCAM signaling for neurite out-growth | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Nephrin interactions | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by SCF-KIT | |
| Tie2 Signaling | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.