UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6Z)-4-hydroxy-6-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]imino-3-[(2R)-2-methylaziridin-1-yl]c (6Z)-4-hydroxy-6-[6-methoxy-7-(2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 540 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 206 0.31 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 206 0.31 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) -1.42 3.3 -33.7 1 9 0 115 410.43 6 ↓

Analogs

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Popular Name: (6Z)-4-hydroxy-6-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]imino-3-[(2S)-2-methylaziridin-1-yl]c (6Z)-4-hydroxy-6-[6-methoxy-7-(2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 540 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 206 0.31 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 206 0.31 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) -1.42 3.29 -33.73 1 9 0 115 410.43 6 ↓

Analogs

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Popular Name: N-[4-acetamido-5-[(2R)-2-methylaziridin-1-yl]-2-[(2S)-2-methylaziridin-1-yl]-3,6-dioxo-cyclohexa-1,4 N-[4-acetamido-5-[(2R)-2-methyla…

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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) -4.21 2.42 -41.2 3 8 1 104 333.368 3 ↓
Mid Mid (pH 6-8) -4.21 2.31 -38.92 3 8 1 104 333.368 3 ↓
Mid Mid (pH 6-8) -0.64 3.87 -26.44 2 8 0 98 332.36 4 ↓

Analogs

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Popular Name: N-[4-acetamido-2,5-bis[(2S)-2-methylaziridin-1-yl]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]acetamide N-[4-acetamido-2,5-bis[(2S)-2-me…

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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) -4.21 2.32 -39.08 3 8 1 104 333.368 3 ↓
Mid Mid (pH 6-8) -0.64 3.87 -26.38 2 8 0 98 332.36 4 ↓

Parameters Provided:

ring.id = 93658
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 93658 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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