UCSF

ZINC13488098

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 14 No

Popular Name: DNC006642 DNC006642

Find On: PubMed — Wikipedia — Google

Other Names:

4-nitrophenylsulfamide

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) 0.51 -0.66 -31.75 2 7 -1 120 216.198 3 ↓

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 18 0.77 Binding ≤ 10μM
CAH2-5-E Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic Eukaryotes 892 0.60 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 18 0.77 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 1000 0.60 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 18 0.77 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 1000 0.60 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.