UCSF

ZINC21288919

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 30 Yes

Popular Name: LS-134028 LS-134028

Find On: PubMed — Wikipedia — Google

CAS Number: 214697-26-4

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) 3.86 10.12 -12.57 2 7 0 90 463.339 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.34 Binding ≤ 10μM
ADK-1-E Adenosine Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.34 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 51 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADK_RAT Q64640 Adenosine Kinase, Rat 1.7 0.41 Binding ≤ 1μM
ADK_HUMAN P55263 Adenosine Kinase, Human 1.3 0.41 Binding ≤ 1μM
ADK_RAT Q64640 Adenosine Kinase, Rat 1.7 0.41 Binding ≤ 10μM
ADK_HUMAN P55263 Adenosine Kinase, Human 1.3 0.41 Binding ≤ 10μM
ADK_HUMAN P55263 Adenosine Kinase, Human 50 0.34 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 51 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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

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