UCSF

ZINC05656896

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 Yes

Popular Name: ethyl ethyl

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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) 4.76 1.87 -9.32 1 5 0 60 336.391 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ATP4A-1-E Potassium-transporting ATPase Alpha Chain 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 850 0.34 Binding ≤ 10μM
ATP4B-1-E Potassium-transporting ATPase Beta Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 850 0.34 Binding ≤ 10μM
Z50590-1-O Sus Scrofa (cluster #1 Of 1), Other Other 37 0.42 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 4000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ATP4A_PIG P19156 Potassium-transporting ATPase Alpha Chain 1, Pig 850 0.34 Binding ≤ 1μM
ATP4B_PIG P18434 Potassium-transporting ATPase Beta Chain, Pig 850 0.34 Binding ≤ 1μM
ATP4A_PIG P19156 Potassium-transporting ATPase Alpha Chain 1, Pig 850 0.34 Binding ≤ 10μM
ATP4B_PIG P18434 Potassium-transporting ATPase Beta Chain, Pig 850 0.34 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 4000 0.30 Functional ≤ 10μM
Z50590 Z50590 Sus Scrofa 37 0.42 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ion transport by P-type ATPases

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