UCSF

ZINC29333045

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 19 Yes

Popular Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidine-3,4-diol (2R,3S,4R,5R)-2-(hydroxymethyl)-…

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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) -2.40 -4.7 -49.97 7 8 1 139 267.265 2 ↓
Hi High (pH 8-9.5) -1.95 -9.21 -51.58 5 8 -1 137 265.249 2 ↓
Hi High (pH 8-9.5) -2.40 -7.82 -21.07 6 8 0 134 266.257 2 ↓
Mid Mid (pH 6-8) -2.40 -8.25 -24.77 6 8 0 134 266.257 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PNPH-1-E Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 0.1 0.74 Binding ≤ 1μM
PNPH_BOVIN P55859 Purine Nucleoside Phosphorylase, Bovin 0.1 0.74 Binding ≤ 1μM
PNPH_BOVIN P55859 Purine Nucleoside Phosphorylase, Bovin 0.1 0.74 Binding ≤ 10μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 0.1 0.74 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism
Purine salvage

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