UCSF

ZINC03981933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2005 32 No

Popular Name: c1ccc2c(c1)c3cc[n+]2CCCCC[n+]4ccc(c5c4cccc5)NCCCCCN3 c1ccc2c(c1)c3cc[n+]2CCCCC[n+]4cc…

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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) -3.14 13.71 -72.94 2 4 2 32 426.608 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNN1-1-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.39 Binding ≤ 10μM
KCNN2-1-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
KCNN3-1-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
KCNN1-1-E Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.38 Functional ≤ 10μM
KCNN2-1-E Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.38 Functional ≤ 10μM
KCNN3-1-E Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.38 Functional ≤ 10μM
Z50597-3-O Rattus Norvegicus (cluster #3 Of 12), Other Other 3 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN1_HUMAN Q92952 Small Conductance Calcium-activated Potassium Channel Protein 1, Human 0.14 0.43 Binding ≤ 1μM
KCNN2_HUMAN Q9H2S1 Small Conductance Calcium-activated Potassium Channel Protein 2, Human 0.14 0.43 Binding ≤ 1μM
KCNN3_HUMAN Q9UGI6 Small Conductance Calcium-activated Potassium Channel Protein 3, Human 0.14 0.43 Binding ≤ 1μM
KCNN3_RAT P70605 Small Conductance Calcium-activated Potassium Channel Protein 3, Rat 0.43 0.41 Binding ≤ 1μM
KCNN1_HUMAN Q92952 Small Conductance Calcium-activated Potassium Channel Protein 1, Human 0.14 0.43 Binding ≤ 10μM
KCNN2_HUMAN Q9H2S1 Small Conductance Calcium-activated Potassium Channel Protein 2, Human 0.14 0.43 Binding ≤ 10μM
KCNN3_HUMAN Q9UGI6 Small Conductance Calcium-activated Potassium Channel Protein 3, Human 0.14 0.43 Binding ≤ 10μM
KCNN3_RAT P70605 Small Conductance Calcium-activated Potassium Channel Protein 3, Rat 0.43 0.41 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2 0.38 Functional ≤ 10μM
KCNN1_RAT P70606 Small Conductance Calcium-activated Potassium Channel Protein 1, Rat 2 0.38 Functional ≤ 10μM
KCNN2_RAT P70604 Small Conductance Calcium-activated Potassium Channel Protein 2, Rat 2 0.38 Functional ≤ 10μM
KCNN3_RAT P70605 Small Conductance Calcium-activated Potassium Channel Protein 3, Rat 2 0.38 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels

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

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