UCSF

ZINC05101601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 24 No

Popular Name: 1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-phenyl-prop-2-en-1-one 1-(6-hydroxy-4,7-dimethoxy-benzo…

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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) 3.79 1.66 -11.13 1 5 0 68 324.332 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA1-1-E Voltage-gated Potassium Channel Subunit Kv1.1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.35 Binding ≤ 10μM
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 3), Eukaryotic Eukaryotes 5100 0.31 Binding ≤ 10μM
KCNA5-3-E Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #3 Of 3), Eukaryotic Eukaryotes 5100 0.31 Binding ≤ 10μM
KCNA7-1-E Voltage-gated Potassium Channel Subunit Kv1.7 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.29 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 600 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 400 0.37 Binding ≤ 1μM
KCNA1_HUMAN Q09470 Voltage-gated Potassium Channel Subunit Kv1.1, Human 1200 0.35 Binding ≤ 10μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 10000 0.29 Binding ≤ 10μM
KCNA5_HUMAN P22460 Voltage-gated Potassium Channel Subunit Kv1.5, Human 5100 0.31 Binding ≤ 10μM
KCNA7_HUMAN Q96RP8 Voltage-gated Potassium Channel Subunit Kv1.7, Human 10000 0.29 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 600 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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