UCSF
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Analogs

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Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-[5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]-1H-p 6-[(3-ethyl-4-methyl-phenyl)amin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 98 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 98 0.27 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 98 0.27 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) 6.02 16.67 -46.47 3 6 1 71 491.631 10 ↓
Hi High (pH 8-9.5) 6.02 14.41 -10.58 2 6 0 70 490.623 10 ↓
Hi High (pH 8-9.5) 5.59 13.78 -37.88 0 6 -1 67 489.615 10 ↓

Analogs

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Popular Name: 3-[5-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]-6-[(3-ethyl-4-methyl-phenyl)amino]-1H-p 3-[5-[4-(4-chlorophenyl)-3,6-dih…

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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) 6.54 17.17 -45.53 3 6 1 71 508.086 10 ↓

Parameters Provided:

ring.id = 222642
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 = 222642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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