UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-cyano-1-methyl-indol-6-yl)benzenesulfonamide N-(3-cyano-1-methyl-indol-6-yl)b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH2-2-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 7680 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 7680 0.33 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) 2.65 6.6 -15.89 1 5 0 75 311.366 3 ↓
Mid Mid (pH 6-8) 2.65 6.64 -51.99 0 5 -1 77 310.358 3 ↓

Analogs

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Popular Name: 6-(benzenesulfonamido)-1H-indole-3-carboxylic 6-(benzenesulfonamido)-1H-indole…

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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) 2.40 4.92 -59.37 2 6 -1 102 315.33 4 ↓
Mid Mid (pH 6-8) 2.40 5.05 -116.29 1 6 -2 104 314.322 4 ↓

Analogs

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Popular Name: 6-[(2-methoxyphenyl)sulfonylamino]-1H-indole-3-carboxylic 6-[(2-methoxyphenyl)sulfonylamin…

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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) 2.41 4.75 -60.85 2 7 -1 111 345.356 5 ↓
Hi High (pH 8-9.5) 2.41 4.81 -123 1 7 -2 113 344.348 5 ↓

Parameters Provided:

ring.id = 93407
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 = 93407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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