UCSF

ZINC05929443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 Yes

Popular Name: DNC008844 DNC008844

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) 4.48 9.48 -13.52 0 4 0 54 363.438 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-2-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #2 Of 3), Eukaryotic Eukaryotes 5800 0.28 Binding ≤ 10μM
KCNN4-1-E Intermediate Conductance Calcium-activated Potassium Channel Protein 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.31 Binding ≤ 10μM
Z80901-1-O HaCaT (Keratinocytes) (cluster #1 Of 2), Other Other 8400 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN4_HUMAN O15554 Intermediate Conductance Calcium-activated Potassium Channel Protein 4, Human 2100 0.31 Binding ≤ 10μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 5800 0.28 Binding ≤ 10μM
Z80901 Z80901 HaCaT (Keratinocytes) 8400 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels
Voltage gated Potassium channels

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

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