UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methoxy-quino 4-[(2,4-dichloro-5-methoxy-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7 0.29 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7 0.29 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) 7.00 13.31 -40.93 2 7 1 75 577.536 8 ↓
Mid Mid (pH 6-8) 7.00 13.32 -44.72 2 7 1 75 577.536 8 ↓
Mid Mid (pH 6-8) 7.00 10.93 -8.4 1 7 0 74 576.528 8 ↓

Analogs

23357928
23357928

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Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carb 4-[(2,4-dichloro-5-methoxy-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3 0.31 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3 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) 7.01 13.62 -41.36 2 6 1 66 547.51 7 ↓
Mid Mid (pH 6-8) 7.01 13.64 -45.65 2 6 1 66 547.51 7 ↓
Mid Mid (pH 6-8) 7.01 11.25 -8.5 1 6 0 64 546.502 7 ↓

Analogs

23357919
23357919

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Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-car 4-[(2,4-dichloro-5-methoxy-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.31 Binding ≤ 10μM
FYN-1-E Tyrosine-protein Kinase FYN (cluster #1 Of 1), Eukaryotic Eukaryotes 830 0.23 Functional ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.24 Functional ≤ 10μM
Z80416-1-O Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 390 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3.8 0.32 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 3.8 0.32 Binding ≤ 10μM
Z80416 Z80416 Rat1 (Fibroblast Cells) 390 0.24 Functional ≤ 10μM
FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 830 0.23 Functional ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 390 0.24 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) 6.64 13.05 -42.41 2 6 1 66 533.483 6 ↓
Mid Mid (pH 6-8) 6.64 12.98 -45.51 2 6 1 66 533.483 6 ↓
Mid Mid (pH 6-8) 6.64 10.58 -8.53 1 6 0 64 532.475 6 ↓

Analogs

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Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]quino 4-[(2,4-dichloro-5-methoxy-pheny…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 4.7 0.30 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 4.7 0.30 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) 6.00 10.47 -48.07 3 7 1 86 563.509 8 ↓
Mid Mid (pH 6-8) 6.00 8.08 -11.59 2 7 0 85 562.501 8 ↓

Parameters Provided:

ring.id = 138447
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 = 138447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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