UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-carbamimidoyl-5-(5-fluoro-2-methyl-phenyl)furan-2-carboxamide N-carbamimidoyl-5-(5-fluoro-2-me…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.49 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) 1.79 4.36 -11.56 4 5 0 95 261.256 2 ↓

Analogs

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Popular Name: CARIPORIDE CARIPORIDE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.53 Binding ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Binding ≤ 10μM
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 75 0.52 Functional ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Functional ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 26 0.56 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 117 0.51 Functional ≤ 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) 0.35 1.32 -19.12 4 6 0 116 283.353 3 ↓

Analogs

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Popular Name: 5-(N-Ethyl-N-Isopropyl)Amiloride 5-(N-Ethyl-N-Isopropyl)Amiloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9W6Q1-1-E Sodium/hydrogen Exchanger (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.35 Binding ≤ 10μM
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.43 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6310 0.36 Functional ≤ 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) 0.29 1.45 -9.55 6 8 0 137 299.766 4 ↓
Hi High (pH 8-9.5) 0.29 1.84 -39.94 5 8 -1 134 298.758 4 ↓

Analogs

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Popular Name: N-(Diaminomethylene)-2-methyl-5-(methylsulfonyl)-4-(1H-pyrrol-1-yl)benzamide N-(Diaminomethylene)-2-methyl-5-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.52 Binding ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.52 Binding ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.52 Binding ≤ 10μM
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.52 Functional ≤ 10μM
SL9A2-1-E Sodium/hydrogen Exchanger 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.32 Functional ≤ 10μM
SL9A3-1-E Sodium/hydrogen Exchanger 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.52 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 32 0.48 Functional ≤ 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) 0.37 3.65 -13.7 4 7 0 121 320.374 3 ↓

Analogs

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Popular Name: Zoniporide Zoniporide

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.42 Functional ≤ 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) 0.79 5.41 -14.4 4 7 0 112 320.356 3 ↓
Hi High (pH 8-9.5) 0.79 5.75 -46.69 3 7 -1 110 319.348 3 ↓

Parameters Provided:

annotation.name = SL9A1_HUMAN
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 'SL9A1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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