UCSF

ZINC34951257

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 No

Popular Name: [[[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphory [[[[(2R,3S,4R,5S)-5-(6-aminopuri…

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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) -3.73 -5.48 -239.17 6 18 -3 290 503.174 8 ↓
Mid Mid (pH 6-8) -3.73 -4.37 -377.19 5 18 -4 293 502.166 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
METK1-1-E S-adenosylmethionine Synthetase Alpha And Beta Forms (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.24 Binding ≤ 10μM
METK2-1-E S-adenosylmethionine Synthetase Gamma Form (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
METK1_RAT P13444 S-adenosylmethionine Synthetase Alpha And Beta Forms, Rat 4000 0.24 Binding ≤ 10μM
METK2_RAT P18298 S-adenosylmethionine Synthetase Gamma Form, Rat 4000 0.24 Binding ≤ 10μM

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