UCSF

ZINC01681689

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 No

Popular Name: 6-Amino-alpha-(1-formyl-2-hydroxyethoxy)-9H-purine-9-acetaldehyde; 9H-Purine-9-acetaldehyde, 6-amino-alpha-(1-formyl-2-hydroxyethoxy)-; Hydracrylaldehyde, 2-((6-amino-9H-purin-9-yl)formylmethoxy)-; LS-126411; Periodate-oxidized adenosine; alpha-(Hydroxyme 6-Amino-alpha-(1-formyl-2-hydrox…

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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) -0.74 -4.14 -17.04 3 9 0 133 265.229 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA-1-E Adenosine Deaminase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.38 Binding ≤ 10μM
SAHH-1-E Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 3.3 0.62 Binding ≤ 1μM
ADA_BOVIN P56658 Adenosine Deaminase, Bovin 8000 0.38 Binding ≤ 10μM
SAHH_HUMAN P23526 Adenosylhomocysteinase, Human 3.3 0.62 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Methylation
Sulfur amino acid metabolism

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

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