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Popular Name: N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]carbazole-9-carboxamide N-[2-[4-(2-oxo-3H-benzimidazol-1…

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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 330 0.27 Binding ≤ 10μM
PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 260 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLD1_HUMAN Q13393 Phospholipase D1, Human 300 0.27 Binding ≤ 1μM
PLD2_HUMAN O14939 Phospholipase D2, Human 1000 0.25 Binding ≤ 1μM
PLD1_HUMAN Q13393 Phospholipase D1, Human 300 0.27 Binding ≤ 10μM
PLD2_HUMAN O14939 Phospholipase D2, Human 1000 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) 4.43 12.54 -53.53 3 7 1 76 454.554 4 ↓
Hi High (pH 8-9.5) 4.43 10.32 -19.46 2 7 0 75 453.546 4 ↓

Parameters Provided:

ring.id = 191625
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 = 191625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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