UCSF

ZINC49793226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 29 Yes

Popular Name: (2S,3R,4S,5R)-2-[6-benzylsulfanyl-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-dio (2S,3R,4S,5R)-2-[6-benzylsulfany…

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) 1.60 3.01 -20.57 4 9 0 126 417.491 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S29A1-1-E Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 9.5 0.39 Binding ≤ 1μM
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 9.5 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Transport of nucleosides and free purine and pyrimidine bases across the plasma

Rings

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

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