UCSF

ZINC28456655

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 14 Yes

Popular Name: 2-Amino-indan-5-sulfonic acid amide 2-Amino-indan-5-sulfonic acid amide

Find On: PubMed — Wikipedia — Google

CAS Number: 52069-27-9

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) -0.36 -1.37 -59.28 5 4 1 88 213.282 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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 33 0.75 Binding ≤ 10μM
CAH12-1-E Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
CAH14-1-E Carbonic Anhydrase XIV (cluster #1 Of 8), Eukaryotic Eukaryotes 6 0.82 Binding ≤ 10μM
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 28 0.76 Binding ≤ 10μM
CAH7-1-E Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic Eukaryotes 2 0.87 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 33 0.75 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 28 0.76 Binding ≤ 1μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 1.6 0.88 Binding ≤ 1μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 1.4 0.89 Binding ≤ 1μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 5.8 0.82 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 33 0.75 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 28 0.76 Binding ≤ 10μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 1.6 0.88 Binding ≤ 10μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 1.4 0.89 Binding ≤ 10μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 5.8 0.82 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% )

No pre-computed analogs available. Try a structural similarity search.