UCSF

ZINC05917465

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 Yes

Popular Name: 2-ethyl-N-[(4-sulfamoylphenyl)methyl]butanamide 2-ethyl-N-[(4-sulfamoylphenyl)me…

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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) 1.64 1.33 -13.89 3 5 0 89 284.381 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-5-E Carbonic Anhydrase I (cluster #5 Of 12), Eukaryotic Eukaryotes 82 0.52 Binding ≤ 10μM
CAH14-8-E Carbonic Anhydrase XIV (cluster #8 Of 8), Eukaryotic Eukaryotes 82 0.52 Binding ≤ 10μM
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 143 0.50 Binding ≤ 10μM
CAH7-1-E Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 82 0.52 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 143 0.50 Binding ≤ 1μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 71 0.53 Binding ≤ 1μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 82 0.52 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 82 0.52 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 143 0.50 Binding ≤ 10μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 71 0.53 Binding ≤ 10μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 82 0.52 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
Reversible hydration of carbon dioxide

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