| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 22 | Yes |
Popular Name: HymenialdisineAnalogue1 HymenialdisineAnalogue1
Find On: PubMed — Wikipedia — Google
CAS Number: 693222-51-4
| 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) | -0.12 | 1.01 | -52.62 | 4 | 7 | -1 | 120 | 294.294 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 0.9 | -47.04 | 4 | 7 | -1 | 120 | 294.294 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 1.86 | -16.57 | 5 | 7 | 0 | 117 | 295.302 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 1.88 | -43.13 | 4 | 7 | -1 | 114 | 294.294 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 1.88 | -48.51 | 4 | 7 | -1 | 114 | 294.294 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 1.86 | -25.9 | 5 | 7 | 0 | 117 | 295.302 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 237 | 0.42 | Binding ≤ 10μM |
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 470 | 0.40 | Binding ≤ 10μM |
| CHK2-1-E | Serine/threonine-protein Kinase Chk2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.52 | Binding ≤ 10μM |
| KC1D-1-E | Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1352 | 0.37 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2539 | 0.36 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3381 | 0.35 | Binding ≤ 10μM |
| MK01-1-E | Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 89 | 0.45 | Binding ≤ 10μM |
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 8160 | 0.32 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 3550 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 89 | 0.45 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 237 | 0.42 | Binding ≤ 1μM |
| CHK2_HUMAN | O96017 | Serine/threonine-protein Kinase Chk2, Human | 8 | 0.52 | Binding ≤ 1μM |
| KC1D_HUMAN | P48730 | Casein Kinase I Delta, Human | 1352 | 0.37 | Binding ≤ 10μM |
| MK01_HUMAN | P28482 | MAP Kinase ERK2, Human | 89 | 0.45 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 2539 | 0.36 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 3381 | 0.35 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 237 | 0.42 | Binding ≤ 10μM |
| CHK2_HUMAN | O96017 | Serine/threonine-protein Kinase Chk2, Human | 8 | 0.52 | Binding ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 3550 | 0.35 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 8160 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of ATR in response to replication stress | |
| Activation of NF-kappaB in B cells | |
| Activation of the AP-1 family of transcription factors | |
| Advanced glycosylation endproduct receptor signaling | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Circadian Clock | |
| CREB phosphorylation through the activation of Ras | |
| Depolymerisation of the Nuclear Lamina | |
| Disinhibition of SNARE formation | |
| EGFR Transactivation by Gastrin | |
| ERK/MAPK targets | |
| ERK2 activation | |
| ERKs are inactivated | |
| FCERI mediated MAPK activation | |
| G alpha (z) signalling events | |
| G2/M DNA damage checkpoint | |
| Gastrin-CREB signalling pathway via PKC and MAPK | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Growth hormone receptor signaling | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| NCAM signaling for neurite out-growth | |
| Negative regulation of FGFR signaling | |
| Oncogene Induced Senescence | |
| Oxidative Stress Induced Senescence | |
| phospho-PLA2 pathway | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recycling pathway of L1 | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Response to elevated platelet cytosolic Ca2+ | |
| RSK activation | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Signal attenuation | |
| Signal transduction by L1 | |
| Signaling by FGFR | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| Thrombin signalling through proteinase activated receptors (PARs) | |
| Trafficking of GluR2-containing AMPA receptors | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
