| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 31 | Yes |
Popular Name: N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-N'-phenylurea N-(4,5-diphenyl-1H-pyrazolo[3,4-…
| 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) | 5.14 | 10.79 | -15.5 | 3 | 7 | 0 | 96 | 406.449 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 8.46 | -8.6 | 3 | 7 | 0 | 99 | 406.449 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 9.65 | -34.29 | 4 | 7 | 1 | 101 | 407.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 9.71 | -37 | 4 | 7 | 0 | 101 | 407.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.14 | 10.8 | -14.81 | 3 | 7 | 0 | 96 | 406.449 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNB-1-E | G2/mitotic-specific Cyclin B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.23 | Binding ≤ 10μM |
| CDK1-3-E | Cyclin-dependent Kinase 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9000 | 0.23 | Binding ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2930 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 9000 | 0.23 | Binding ≤ 10μM |
| CCNB_MARGL | P15206 | G2/mitotic-specific Cyclin B, Margl | 9000 | 0.23 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2930 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin B2 mediated events | |
| Depolymerisation of the Nuclear Lamina | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| ERK1 activation | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2/M DNA replication checkpoint | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion |
No pre-computed analogs available. Try a structural similarity search.