UCSF

ZINC56834502

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 37 No

Popular Name: (2R)-2-amino-4-[[(2R,3S,4S,5R)-5-[6-[(3,5-dimethoxyphenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetr (2R)-2-amino-4-[[(2R,3S,4S,5R)-5…

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Annotations

Vendors

    None

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) -0.96 2.71 -55.47 6 13 0 192 534.595 12 ↓
Hi High (pH 8-9.5) -0.96 2.41 -59.98 5 13 -1 190 533.587 12 ↓

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 900 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 900 0.23 Binding ≤ 1μM
DNM3B_HUMAN Q9UBC3 DNA (cytosine-5)-methyltransferase 3B, Human 900 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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