| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 23 | Yes |
Popular Name: 2,4,5-trichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide 2,4,5-trichloro-N-[3-(trifluorom…
| 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) | 5.46 | 6.99 | -32.96 | 0 | 3 | -1 | 48 | 403.616 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.46 | 6.97 | -6.2 | 1 | 3 | 0 | 46 | 404.624 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNA2-1-E | Cyclin A2 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.30 | Binding ≤ 10μM |
| CCNH-1-E | Cyclin H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.41 | Binding ≤ 10μM |
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 10000 | 0.30 | Binding ≤ 10μM |
| CDK7-1-E | Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.41 | Binding ≤ 10μM |
| MAT1-1-E | CDK-activating Kinase Assembly Factor MAT1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.41 | Binding ≤ 10μM |
| P90584-2-E | Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic | Eukaryotes | 600 | 0.38 | Binding ≤ 10μM |
| Z104296-1-O | Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other | Other | 100 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 200 | 0.41 | Binding ≤ 1μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 200 | 0.41 | Binding ≤ 1μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 100 | 0.43 | Binding ≤ 1μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 200 | 0.41 | Binding ≤ 1μM |
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 600 | 0.38 | Binding ≤ 1μM |
| MAT1_HUMAN | P51948 | CDK-activating Kinase Assembly Factor MAT1, Human | 200 | 0.41 | Binding ≤ 10μM |
| CCNA2_HUMAN | P20248 | Cyclin A2, Human | 10000 | 0.30 | Binding ≤ 10μM |
| CCNH_HUMAN | P51946 | Cyclin H, Human | 200 | 0.41 | Binding ≤ 10μM |
| Z104296 | Z104296 | Cyclin-dependent Kinase 1/cyclin B1 | 100 | 0.43 | Binding ≤ 10μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 10000 | 0.30 | Binding ≤ 10μM |
| CDK7_HUMAN | P50613 | Cyclin-dependent Kinase 7, Human | 200 | 0.41 | Binding ≤ 10μM |
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 600 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin D associated events in G1 | |
| Cyclin E associated events during G1/S transition | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Dual incision reaction in GG-NER | |
| Dual incision reaction in TC-NER | |
| Factors involved in megakaryocyte development and platelet production | |
| Formation of HIV elongation complex in the absence of HIV Tat | |
| Formation of HIV-1 elongation complex containing HIV-1 Tat | |
| Formation of incision complex in GG-NER | |
| Formation of RNA Pol II elongation complex | |
| Formation of the Early Elongation Complex | |
| Formation of the HIV-1 Early Elongation Complex | |
| Formation of transcription-coupled NER (TC-NER) repair complex | |
| G0 and Early G1 | |
| G2 Phase | |
| HIV Transcription Initiation | |
| Meiotic recombination | |
| mRNA Capping | |
| NoRC negatively regulates rRNA expression | |
| Orc1 removal from chromatin | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| RNA Pol II CTD phosphorylation and interaction with CE | |
| RNA Polymerase I Chain Elongation | |
| RNA Polymerase I Promoter Escape | |
| RNA Polymerase I Transcription Initiation | |
| RNA Polymerase I Transcription Termination | |
| RNA Polymerase II HIV Promoter Escape | |
| RNA Polymerase II Pre-transcription Events | |
| RNA Polymerase II Promoter Escape | |
| RNA Polymerase II Transcription Elongation | |
| RNA Polymerase II Transcription Initiation | |
| RNA Polymerase II Transcription Initiation And Promoter Clearance | |
| RNA Polymerase II Transcription Pre-Initiation And Promoter Opening | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| Tat-mediated elongation of the HIV-1 transcript | |
| Transcription of the HIV genome |
No pre-computed analogs available. Try a structural similarity search.