UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: LL-Z1640-2 LL-Z1640-2

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.45 Binding ≤ 10μM
GSK3A-2-E Glycogen Synthase Kinase-3 Alpha (cluster #2 Of 3), Eukaryotic Eukaryotes 1900 0.31 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.43 Binding ≤ 10μM
M3K7-1-E Mitogen-activated Protein Kinase Kinase Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Binding ≤ 10μM
MK01-1-E Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.32 Binding ≤ 10μM
MK03-1-E MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.32 Binding ≤ 10μM
MP2K1-3-E Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #3 Of 4), Eukaryotic Eukaryotes 2 0.47 Binding ≤ 10μM
PGFRA-2-E Platelet-derived Growth Factor Receptor Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.40 Binding ≤ 10μM
TAB1-1-E Mitogen-activated Protein Kinase Kinase Kinase 7-interacting Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Binding ≤ 10μM
TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 250 0.36 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
VGFR3-2-E Vascular Endothelial Growth Factor Receptor 3 (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 3600 0.29 Functional ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 4400 0.29 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 3800 0.29 Functional ≤ 10μM
Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 4900 0.29 Functional ≤ 10μM
Z80466-1-O SF268 (cluster #1 Of 4), Other Other 5100 0.28 Functional ≤ 10μM
Z80466-1-O SF268 (cluster #1 Of 4), Other Other 5600 0.28 Functional ≤ 10μM
Z80548-3-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #3 Of 5), Other Other 11 0.43 Functional ≤ 10μM
Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 7000 0.28 Functional ≤ 10μM
Z81245-1-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other Other 3300 0.30 Functional ≤ 10μM
Z81245-1-O MDA-MB-435 (Breast Carcinoma Cells) (cluster #1 Of 6), Other Other 5500 0.28 Functional ≤ 10μM

Physical Representations

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) 1.38 2.34 -12.73 3 7 0 113 362.378 1 ↓
Ref Reference (pH 7) 1.38 1.51 -10.41 3 7 0 113 362.378 1 ↓
Hi High (pH 8-9.5) 1.38 3.43 -52.21 2 7 -1 116 361.37 1 ↓

Analogs

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Popular Name: 1-[[5-methoxy-2-(2-thienyl)quinazolin-4-yl]amino]-3-methyl-3-pyrroline-2,5-quinone 1-[[5-methoxy-2-(2-thienyl)quina…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IKKA-2-E Inhibitor Of Nuclear Factor Kappa B Kinase Alpha Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 1300 0.32 Binding ≤ 10μM
IKKB-1-E Inhibitor Of Nuclear Factor Kappa B Kinase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Binding ≤ 10μM
TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 380 0.35 Binding ≤ 10μM
FOS-1-E Proto-oncogene Protein C-fos (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
JUN-1-E Proto-oncogene C-JUN (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
NFKB1-1-E Nuclear Factor NF-kappa-B P105 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
NFKB2-1-E Nuclear Factor NF-kappa-B P100/p49 Subunits (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.44 Functional ≤ 10μM
Z81072-1-O Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other Other 8 0.44 Functional ≤ 10μM

Physical Representations

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) 3.25 7.83 -20.46 1 7 0 86 366.402 4 ↓

Analogs

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Popular Name: Rocaglamide Rocaglamide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NFKB1-1-E Nuclear Factor NF-kappa-B P105 Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 75 0.27 Binding ≤ 10μM
TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 80 0.27 Binding ≤ 10μM

Physical Representations

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) 3.49 -1.97 -18.68 2 8 0 97 505.567 6 ↓

Analogs

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Popular Name: GARCINONE D GARCINONE D

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP19A-1-E Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5200 0.24 Binding ≤ 10μM
TF65-1-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 3200 0.25 Binding ≤ 10μM
NANH-1-B Sialidase (cluster #1 Of 1), Bacterial Bacteria 5700 0.24 Binding ≤ 10μM

Physical Representations

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) 5.34 3.61 -10.27 4 7 0 120 428.481 6 ↓

Parameters Provided:

target.name = TF65-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'TF65-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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