UCSF
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Analogs

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Popular Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-piperidinosulfonyl-benzamide 2-chloro-N-(3-cyano-5,6-dihydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 2500 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) 3.78 8.51 -12.18 1 6 0 90 449.985 4 ↓

Analogs

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Popular Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide 2-chloro-N-(3-cyano-4,5,6,7-tetr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 1700 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) 3.23 6.63 -13.21 1 7 0 100 465.984 4 ↓

Analogs

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Popular Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-morpholinosulfonyl-benzamide 2-chloro-N-(3-cyano-5,6-dihydro-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 9000 0.24 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) 2.72 6.07 -13.65 1 7 0 100 451.957 4 ↓

Analogs

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Popular Name: 2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-morpholinosulfonyl-benzamide 2,4-dichloro-N-(3-cyano-4,5,6,7-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 1000 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) 3.84 6.81 -11.38 1 7 0 100 500.429 4 ↓

Analogs

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Popular Name: 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 8000 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) 3.62 8.22 -12.54 1 6 0 90 437.974 6 ↓

Analogs

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Popular Name: 2-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide 2-chloro-N-(3-cyano-4,5,6,7-tetr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 1400 0.28 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) 4.14 8.79 -12.12 1 6 0 90 452.001 6 ↓

Analogs

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Popular Name: 2-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl)-5-morpholinosulfonyl-benzamide 2-bromo-N-(3-cyano-5,6-dihydro-4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 4200 0.26 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) 2.85 6.19 -13.39 1 7 0 100 496.408 4 ↓

Analogs

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Popular Name: 2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-morpholinosulfonyl-benzamide 2,4-dichloro-N-(3-cyano-5,6-dihy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 300 0.30 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) 3.32 6.25 -11.77 1 7 0 100 486.402 4 ↓

Parameters Provided:

annotation.name = Q8DNV6_STRR6
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 'Q8DNV6\\_STRR6' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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