UCSF

ZINC40900224

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 27 Yes

Popular Name: (2R,3R,4S,5R)-2-[6-[(2-bromophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-d (2R,3R,4S,5R)-2-[6-[(2-bromophen…

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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) 1.81 2.38 -16.63 3 8 0 114 453.318 5 ↓

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 134 0.36 Binding ≤ 10μM
S29A1-1-E Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 151 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 151.356125 0.35 Binding ≤ 1μM
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 151.356125 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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