UCSF

ZINC64527050

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 24 Yes

Popular Name: DNC011257 DNC011257

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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) 4.31 9.57 -7.99 1 3 0 42 336.822 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 110 0.41 Binding ≤ 10μM
SCNAA-1-E Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 30 0.44 Binding ≤ 1μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 110 0.41 Binding ≤ 1μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 2 0.51 Binding ≤ 1μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 9 0.47 Binding ≤ 1μM
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 30 0.44 Binding ≤ 10μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 110 0.41 Binding ≤ 10μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 9 0.47 Binding ≤ 10μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 2 0.51 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins

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