UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4064814
4064814

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Popular Name: 5-(3-chloro-4-methylphenyl)-1-phenyl-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 5-(3-chloro-4-methylphenyl)-1-ph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 70 0.29 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 8300 0.21 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) 4.31 12.03 -12.5 0 6 0 81 471.896 2 ↓
Ref Reference (pH 7) 4.31 11.54 -10.68 0 6 0 81 471.896 2 ↓

Analogs

4119515
4119515
12617373
12617373

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Popular Name: 5-(3-chloro-4-methylphenyl)-1-phenyl-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 5-(3-chloro-4-methylphenyl)-1-ph…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 70 0.29 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 8300 0.21 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) 4.31 13.26 -17.48 0 6 0 81 471.896 2 ↓
Ref Reference (pH 7) 4.31 11.95 -10.6 0 6 0 81 471.896 2 ↓

Analogs

8387010
8387010
8432009
8432009
13512728
13512728
17994338
17994338
18286689
18286689

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Popular Name: c1ccc(cc1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)c4ccc(c(c4)Cl)Cl)C5(O2)C(=O)c6ccccc6C5=O c1ccc(cc1)[C@@H]2[C@H]3[C@H](C(=…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 5 0.34 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 850 0.25 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) 4.54 13.18 -14.03 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 11.85 -11 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 11.41 -9.44 0 6 0 81 492.314 2 ↓

Analogs

3974230
3974230

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Popular Name: (3R,3aR,6aS)-5-(3,4-dichlorophenyl)-3-phenyl-spiro[3a,6a-dihydro-3H-furo[3,4-c]pyrrole-1,2'-indane]- (3R,3aR,6aS)-5-(3,4-dichlorophen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFM-1-E Phenylalanyl-tRNA Synthetase Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.22 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 5 0.34 Binding ≤ 10μM
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 850 0.25 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) 4.54 11.81 -11.12 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 13.11 -15.81 0 6 0 81 492.314 2 ↓
Ref Reference (pH 7) 4.54 11.72 -9.09 0 6 0 81 492.314 2 ↓

Analogs

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Popular Name: benzo[1,3]dioxol-5-yl-phenyl-BLAHtetrone benzo[1,3]dioxol-5-yl-phenyl-BLA…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 970 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) 3.14 9.09 -12.28 0 8 0 99 467.433 2 ↓

Analogs

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Popular Name: benzo[1,3]dioxol-5-yl-phenyl-BLAHtetrone benzo[1,3]dioxol-5-yl-phenyl-BLA…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 970 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) 3.14 9.4 -11.79 0 8 0 99 467.433 2 ↓

Analogs

18066800
18066800
18180716
18180716
18180719
18180719
18249543
18249543

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Popular Name: (2-methoxyphenyl)-phenyl-BLAHtetrone (2-methoxyphenyl)-phenyl-BLAHtet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 6100 0.21 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) 3.26 11.72 -19.24 0 7 0 90 453.45 3 ↓
Ref Reference (pH 7) 3.26 10.42 -15.06 0 7 0 90 453.45 3 ↓

Analogs

8926089
8926089

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Popular Name: (1S,3aR,6aS)-5-(2-methoxyphenyl)-1-phenyl-spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indane]-1', (1S,3aR,6aS)-5-(2-methoxyphenyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYFA-1-B Phenylalanyl-tRNA Synthetase Alpha Chain (cluster #1 Of 1), Bacterial Bacteria 6100 0.21 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) 3.26 10.01 -14.34 0 7 0 90 453.45 3 ↓
Ref Reference (pH 7) 3.26 11.67 -15.36 0 7 0 90 453.45 3 ↓

Parameters Provided:

annotation.name = SYFA_STRP8
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'SYFA\\_STRP8' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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