UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-(4-fluorobenzoyl)-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]benzamide 4-fluoro-N-(4-fluorobenzoyl)-N-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLD1-1-E Phospholipase D1 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.28 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 48 0.28 Binding ≤ 1μM
PLD2_HUMAN O14939 Phospholipase D2, Human 470 0.24 Binding ≤ 1μM
PLD1_HUMAN Q13393 Phospholipase D1, Human 1400 0.22 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 2200 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) 3.04 13.97 -72.01 2 7 1 80 505.545 6 ↓
Hi High (pH 8-9.5) 3.04 11.86 -19.88 1 7 0 78 504.537 6 ↓

Parameters Provided:

ring.id = 191615
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 = 191615 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=191615&filter.purchasability=annotated

Embed Link to Results