UCSF

ZINC13013704

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 13 Yes

Popular Name: N-(4-cyanophenyl)sulfamide N-(4-cyanophenyl)sulfamide

Find On: PubMed — Wikipedia — Google

CAS Number: 164648-70-8

Download: MOL2 SDF SMILES Flexibase

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) 0.31 -1.08 -13.41 3 5 0 96 197.219 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-4-E Carbonic Anhydrase I (cluster #4 Of 12), Eukaryotic Eukaryotes 20 0.83 Binding ≤ 10μM
CAH12-7-E Carbonic Anhydrase XII (cluster #7 Of 9), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 16 0.84 Binding ≤ 10μM
CAH9-8-E Carbonic Anhydrase IX (cluster #8 Of 11), Eukaryotic Eukaryotes 45 0.79 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 20 0.83 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 16 0.84 Binding ≤ 1μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 30 0.81 Binding ≤ 1μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 30 0.81 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 20 0.83 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 16 0.84 Binding ≤ 10μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 30 0.81 Binding ≤ 10μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 30 0.81 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxide

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )