UCSF

ZINC43071172

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 34 No

Popular Name: (2S)-2-amino-4-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-[6-(phenethylamino)purin-9-yl]tetrahydrofuran-2-yl]me (2S)-2-amino-4-[[(2R,3S,4S,5R)-3…

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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) -0.59 4.9 -51.73 6 11 0 173 488.57 11 ↓
Hi High (pH 8-9.5) -0.59 4.55 -57.27 5 11 -1 171 487.562 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DNM3B-1-E DNA (cytosine-5)-methyltransferase 3B (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DNM3B_HUMAN Q9UBC3 DNA (cytosine-5)-methyltransferase 3B, Human 2000 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NoRC negatively regulates rRNA expression
PRC2 methylates histones and DNA

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