UCSF

ZINC16958226

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 19 Yes

Popular Name: DNC004270 DNC004270

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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) 0.54 6.4 -24.53 5 7 0 116 256.269 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 200 0.49 Binding ≤ 10μM
Z80285-2-O MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #2 Of 4), Other Other 770 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 200 0.49 Binding ≤ 1μM
PNPH_RAT P85973 Purine-nucleoside Phosphorylase, Rat 200 0.49 Binding ≤ 1μM
PNPH_HUMAN P00491 Purine Nucleoside Phosphorylase, Human 200 0.49 Binding ≤ 10μM
PNPH_RAT P85973 Purine-nucleoside Phosphorylase, Rat 200 0.49 Binding ≤ 10μM
Z80285 Z80285 MOLT-4 (Acute T-lymphoblastic Leukemia Cells) 770 0.45 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine catabolism
Purine salvage

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

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