UCSF

ZINC25760958

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: AMPPNP AMPPNP

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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

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACTH_THEAC; CDA_MYROD ChEBI
PUBCHEM_PATENT_ID EP0524173B1; EP0559845A1; EP0559845B1; EP0655498A1; EP0663830A1; EP0841907A1; EP0931152A2; EP0946748A1; EP0986401A1; EP1027070A1; EP1030678A1; EP1049475A1; EP1053342A2; US4061828; US5215963; US5292498; US5340736; US5405760; US5415873; US5492898; US5516762 IBM Patent Data

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% )