UCSF

ZINC20827202

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 Yes

Popular Name: morpholinoBLAHamine morpholinoBLAHamine

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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) 2.71 6.16 -9.66 2 6 0 77 341.44 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EF2K-1-E Serine/threonine-protein Kinase EEF2K (cluster #1 Of 2), Eukaryotic Eukaryotes 220 0.39 Binding ≤ 10μM
Z80682-1-O A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other Other 6700 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EF2K_HUMAN O00418 Serine/threonine-protein Kinase EEF2K, Human 220 0.39 Binding ≤ 1μM
EF2K_HUMAN O00418 Serine/threonine-protein Kinase EEF2K, Human 220 0.39 Binding ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 6700 0.30 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
S6K1 signalling

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

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