UCSF

ZINC28762509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 Yes

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) 4.85 9.13 -37.76 1 1 1 4 264.82 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A3-1-E Dopamine Transporter (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.65 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.66 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 3.5 0.66 Binding ≤ 1μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 2.17 0.67 Binding ≤ 1μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 3.5 0.66 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 2.17 0.67 Binding ≤ 10μM
SC6A3_HUMAN Q01959 Dopamine Transporter, Human 2.6 0.67 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
Na+/Cl- dependent neurotransmitter transporters

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