| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 37 | Yes |
Popular Name: DNC006942 DNC006942
None
| 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 | 8.52 | -74.09 | 3 | 7 | 0 | 101 | 516.667 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 9.31 | -128.43 | 2 | 7 | -1 | 104 | 515.659 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.49 | 8.43 | -48.2 | 4 | 7 | 1 | 99 | 517.675 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.97 | 11.13 | -63.44 | 3 | 7 | 0 | 98 | 516.667 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.97 | 11.05 | -49.63 | 4 | 7 | 1 | 95 | 517.675 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AAPK1-1-E | AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 19 | 0.29 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 250 | 0.25 | Binding ≤ 10μM |
| BRSK2-1-E | BR Serine/threonine-protein Kinase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 92 | 0.27 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 33 | 0.28 | Binding ≤ 10μM |
| FAK2-1-E | Protein-tyrosine Kinase 2-beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.30 | Binding ≤ 10μM |
| FES-1-E | Tyrosine-protein Kinase FES (cluster #1 Of 1), Eukaryotic | Eukaryotes | 149 | 0.26 | Binding ≤ 10μM |
| KS6A4-1-E | Ribosomal Protein S6 Kinase Alpha 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 94 | 0.27 | Binding ≤ 10μM |
| KS6A5-1-E | Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 31 | 0.28 | Binding ≤ 10μM |
| LTK-1-E | Leukocyte Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 52 | 0.28 | Binding ≤ 10μM |
| ROS1-1-E | Proto-oncogene Tyrosine-protein Kinase ROS (cluster #1 Of 1), Eukaryotic | Eukaryotes | 77 | 0.27 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 75 | 0.27 | Binding ≤ 10μM |
| AURKB-1-E | Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AAPK1_HUMAN | Q13131 | AMP-activated Protein Kinase, Alpha-1 Subunit, Human | 19 | 0.29 | Binding ≤ 1μM |
| BRSK2_HUMAN | Q8IWQ3 | BR Serine/threonine-protein Kinase 2, Human | 92 | 0.27 | Binding ≤ 1μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 33 | 0.28 | Binding ≤ 1μM |
| LTK_HUMAN | P29376 | Leukocyte Tyrosine Kinase Receptor, Human | 52 | 0.28 | Binding ≤ 1μM |
| FAK2_HUMAN | Q14289 | Protein Tyrosine Kinase 2 Beta, Human | 10 | 0.30 | Binding ≤ 1μM |
| ROS1_HUMAN | P08922 | Proto-oncogene Tyrosine-protein Kinase ROS, Human | 77 | 0.27 | Binding ≤ 1μM |
| KS6A4_HUMAN | O75676 | Ribosomal Protein S6 Kinase Alpha 4, Human | 94 | 0.27 | Binding ≤ 1μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 31 | 0.28 | Binding ≤ 1μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 250 | 0.25 | Binding ≤ 1μM |
| FES_HUMAN | P07332 | Tyrosine-protein Kinase FES, Human | 149 | 0.26 | Binding ≤ 1μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 75 | 0.27 | Binding ≤ 1μM |
| AAPK1_HUMAN | Q13131 | AMP-activated Protein Kinase, Alpha-1 Subunit, Human | 19 | 0.29 | Binding ≤ 10μM |
| BRSK2_HUMAN | Q8IWQ3 | BR Serine/threonine-protein Kinase 2, Human | 92 | 0.27 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 33 | 0.28 | Binding ≤ 10μM |
| LTK_HUMAN | P29376 | Leukocyte Tyrosine Kinase Receptor, Human | 52 | 0.28 | Binding ≤ 10μM |
| FAK2_HUMAN | Q14289 | Protein Tyrosine Kinase 2 Beta, Human | 10 | 0.30 | Binding ≤ 10μM |
| ROS1_HUMAN | P08922 | Proto-oncogene Tyrosine-protein Kinase ROS, Human | 77 | 0.27 | Binding ≤ 10μM |
| KS6A4_HUMAN | O75676 | Ribosomal Protein S6 Kinase Alpha 4, Human | 94 | 0.27 | Binding ≤ 10μM |
| KS6A5_HUMAN | O75582 | Ribosomal Protein S6 Kinase Alpha 5, Human | 31 | 0.28 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 250 | 0.25 | Binding ≤ 10μM |
| FES_HUMAN | P07332 | Tyrosine-protein Kinase FES, Human | 149 | 0.26 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 75 | 0.27 | Binding ≤ 10μM |
| AURKB_HUMAN | Q96GD4 | Serine/threonine-protein Kinase Aurora-B, Human | 250 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Apoptotic cleavage of cellular proteins | |
| CREB phosphorylation | |
| CRMPs in Sema3A signaling | |
| DCC mediated attractive signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| ERK/MAPK targets | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Integrin alphaIIb beta3 signaling | |
| Interferon alpha/beta signaling | |
| Interleukin-2 signaling | |
| Interleukin-6 signaling | |
| Mitotic Prometaphase | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| p130Cas linkage to MAPK signaling for integrins | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of AMPK activity via LKB1 | |
| Regulation of IFNA signaling | |
| Regulation of Rheb GTPase activity by AMPK | |
| Resolution of Sister Chromatid Cohesion | |
| Sema3A PAK dependent Axon repulsion | |
| SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion | |
| Separation of Sister Chromatids | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by SCF-KIT | |
| VEGFA-VEGFR2 Pathway |
