UCSF

ZINC04748426

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 30 No

Popular Name: DNC013232 DNC013232

Find On: PubMed — Wikipedia — Google

Other Names:

NSC-30171

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) 2.06 2.57 -55.96 2 8 -1 142 440.482 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PUR9-1-E AICAR Transformylase (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PUR9_HUMAN P31939 AICAR Transformylase, Human 154 0.32 Binding ≤ 1μM
PUR9_HUMAN P31939 AICAR Transformylase, Human 154 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

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

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