| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 31 | No |
Popular Name: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea N-[3-(1,3-benzothiazol-2-yl)-4-h…
| 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) | 4.40 | 9.07 | -30.78 | 3 | 8 | 0 | 120 | 450.501 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2-1-E | Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 700 | 0.28 | Binding ≤ 10μM |
| EGFR-1-E | Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 280 | 0.30 | Binding ≤ 10μM |
| EPHB4-1-E | Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 610 | 0.28 | Binding ≤ 10μM |
| FAK1-1-E | Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.27 | Binding ≤ 10μM |
| IGF1R-1-E | Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 310 | 0.29 | Binding ≤ 10μM |
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 900 | 0.27 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.27 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 190 | 0.30 | Binding ≤ 10μM |
| TIE2-1-E | Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.25 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.25 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 700 | 0.28 | Binding ≤ 1μM |
| EPHB4_HUMAN | P54760 | Ephrin Type-B Receptor 4, Human | 610 | 0.28 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 280 | 0.30 | Binding ≤ 1μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 900 | 0.27 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 900 | 0.27 | Binding ≤ 1μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 310 | 0.29 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 1000 | 0.27 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 190 | 0.30 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 1000 | 0.27 | Binding ≤ 1μM |
| CDK2_HUMAN | P24941 | Cyclin-dependent Kinase 2, Human | 700 | 0.28 | Binding ≤ 10μM |
| EPHB4_HUMAN | P54760 | Ephrin Type-B Receptor 4, Human | 610 | 0.28 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 280 | 0.30 | Binding ≤ 10μM |
| FAK1_HUMAN | Q05397 | Focal Adhesion Kinase 1, Human | 900 | 0.27 | Binding ≤ 10μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 900 | 0.27 | Binding ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 310 | 0.29 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 1000 | 0.27 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 190 | 0.30 | Binding ≤ 10μM |
| TIE2_HUMAN | Q02763 | Tyrosine-protein Kinase TIE-2, Human | 3000 | 0.25 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 3000 | 0.25 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 1000 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex | |
| Apoptotic cleavage of cellular proteins | |
| CDK-mediated phosphorylation and removal of Cdc6 | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| DCC mediated attractive signaling | |
| DNA Damage/Telomere Stress Induced Senescence | |
| Downstream signal transduction | |
| 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 | |
| Factors involved in megakaryocyte development and platelet production | |
| G0 and Early G1 | |
| G2 Phase | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB2:SOS provides linkage to MAPK signaling for Integrins | |
| Insulin receptor recycling | |
| Integrin alphaIIb beta3 signaling | |
| Integrin cell surface interactions | |
| IRS activation | |
| IRS-related events triggered by IGF1R | |
| Meiotic recombination | |
| NCAM signaling for neurite out-growth | |
| Netrin mediated repulsion signals | |
| Neurophilin interactions with VEGF and VEGFR | |
| Orc1 removal from chromatin | |
| p130Cas linkage to MAPK signaling for integrins | |
| p53-Dependent G1 DNA Damage Response | |
| Phosphorylation of proteins involved in G1/S transition by active Cyclin E:Cdk2 | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| SCF(Skp2)-mediated degradation of p27/p21 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| SHC activation | |
| SHC-related events triggered by IGF1R | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal attenuation | |
| Signal regulatory protein (SIRP) family interactions | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by Insulin receptor | |
| Signaling by PDGF | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) | |
| Tie2 Signaling | |
| 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.