UCSF

ZINC13742469

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 23 Yes

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) 1.58 7.08 -124.33 12 7 3 144 330.545 18

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHYS-1-E Deoxyhypusine Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHYS_RAT Q6AY53 Deoxyhypusine Synthase, Rat 80 0.43 Binding ≤ 1μM
DHYS_RAT Q6AY53 Deoxyhypusine Synthase, Rat 80 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hypusine synthesis from eIF5A-lysine

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