UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6333486
6333486
21792468
21792468

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Popular Name: 2-(4-Bromophenyl)-6-chloroquinoline-4-carboxylic acid 2-(4-Bromophenyl)-6-chloroquinol…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 26 0.51 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) 5.10 -0.53 -46.19 0 3 -1 53 361.602 2 ↓

Analogs

41655229
41655229
41656027
41656027

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Popular Name: 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylic acid 6-bromo-2-(4-bromophenyl)quinoli…

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Vendors

And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 25 0.51 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) 5.23 -1.14 -45.68 0 3 -1 53 406.053 2 ↓

Analogs

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Popular Name: 2-Naphthalen-2-yl-quinoline-4-carboxylic acid 2-Naphthalen-2-yl-quinoline-4-ca…

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Vendors

And 20 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 3600 0.33 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) 4.82 0.5 -53.07 0 3 -1 53 298.321 2 ↓

Analogs

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Popular Name: 2-(4-bromophenyl)-6-iodo-quinoline-4-carboxylic 2-(4-bromophenyl)-6-iodo-quinoli…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 19 0.51 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) 5.50 -1.21 -45.14 0 3 -1 53 453.053 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-bromophenyl)quinoline-4-carboxylic acid 2-(4-bromophenyl)quinoline-4-car…

Find On: PubMed — Wikipedia — Google

Vendors

And 36 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 500 0.44 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) 4.45 -0.38 -48.72 0 3 -1 53 327.157 2 ↓

Parameters Provided:

annotation.name = SYPC_CANAX
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 'SYPC\\_CANAX' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=SYPC_CANAX&filter.purchasability=purchasable

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