UCSF

ZINC05113104

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 20 Yes

Popular Name: DNC004965 DNC004965

Find On: PubMed — Wikipedia — Google

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) 1.37 -12.48 -20.2 4 8 0 138 332.444 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-8-E Carbonic Anhydrase I (cluster #8 Of 12), Eukaryotic Eukaryotes 890 0.42 Binding ≤ 10μM
CAH12-5-E Carbonic Anhydrase XII (cluster #5 Of 9), Eukaryotic Eukaryotes 8 0.57 Binding ≤ 10μM
CAH13-3-E Carbonic Anhydrase XIII (cluster #3 Of 7), Eukaryotic Eukaryotes 960 0.42 Binding ≤ 10μM
CAH14-5-E Carbonic Anhydrase XIV (cluster #5 Of 8), Eukaryotic Eukaryotes 852 0.42 Binding ≤ 10μM
CAH2-10-E Carbonic Anhydrase II (cluster #10 Of 15), Eukaryotic Eukaryotes 25 0.53 Binding ≤ 10μM
CAH3-4-E Carbonic Anhydrase III (cluster #4 Of 6), Eukaryotic Eukaryotes 1206 0.41 Binding ≤ 10μM
CAH4-7-E Carbonic Anhydrase IV (cluster #7 Of 16), Eukaryotic Eukaryotes 91 0.49 Binding ≤ 10μM
CAH5A-3-E Carbonic Anhydrase VA (cluster #3 Of 10), Eukaryotic Eukaryotes 1368 0.41 Binding ≤ 10μM
CAH5B-3-E Carbonic Anhydrase VB (cluster #3 Of 9), Eukaryotic Eukaryotes 1592 0.41 Binding ≤ 10μM
CAH6-2-E Carbonic Anhydrase VI (cluster #2 Of 8), Eukaryotic Eukaryotes 1414 0.41 Binding ≤ 10μM
CAH7-5-E Carbonic Anhydrase VII (cluster #5 Of 8), Eukaryotic Eukaryotes 92 0.49 Binding ≤ 10μM
CAH9-6-E Carbonic Anhydrase IX (cluster #6 Of 11), Eukaryotic Eukaryotes 7 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 890 0.42 Binding ≤ 1μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 24.5 0.53 Binding ≤ 1μM
CAH4_HUMAN P22748 Carbonic Anhydrase IV, Human 91.2 0.49 Binding ≤ 1μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 7 0.57 Binding ≤ 1μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 92.3 0.49 Binding ≤ 1μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 8.2 0.57 Binding ≤ 1μM
CAH13_MOUSE Q9D6N1 Carbonic Anhydrase XIII, Mouse 960 0.42 Binding ≤ 1μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 852 0.42 Binding ≤ 1μM
CAH1_HUMAN P00915 Carbonic Anhydrase I, Human 890 0.42 Binding ≤ 10μM
CAH2_HUMAN P00918 Carbonic Anhydrase II, Human 24.5 0.53 Binding ≤ 10μM
CAH3_HUMAN P07451 Carbonic Anhydrase III, Human 1206 0.41 Binding ≤ 10μM
CAH4_HUMAN P22748 Carbonic Anhydrase IV, Human 91.2 0.49 Binding ≤ 10μM
CAH9_HUMAN Q16790 Carbonic Anhydrase IX, Human 7 0.57 Binding ≤ 10μM
CAH5A_HUMAN P35218 Carbonic Anhydrase VA, Human 1368 0.41 Binding ≤ 10μM
CAH5B_HUMAN Q9Y2D0 Carbonic Anhydrase VB, Human 1592 0.41 Binding ≤ 10μM
CAH6_HUMAN P23280 Carbonic Anhydrase VI, Human 1414 0.41 Binding ≤ 10μM
CAH7_HUMAN P43166 Carbonic Anhydrase VII, Human 92.3 0.49 Binding ≤ 10μM
CAH12_HUMAN O43570 Carbonic Anhydrase XII, Human 8.2 0.57 Binding ≤ 10μM
CAH13_MOUSE Q9D6N1 Carbonic Anhydrase XIII, Mouse 960 0.42 Binding ≤ 10μM
CAH14_HUMAN Q9ULX7 Carbonic Anhydrase XIV, Human 852 0.42 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

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