UCSF
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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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Activity (Go SEA)

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 ↓

Parameters Provided:

target.name = SYFM-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 'SYFM-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=SYFM-1-E&target.type=B10&filter.purchasability=purchasable

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