UCSF

ZINC03806987

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 31 Yes

Popular Name: AG-2033 AG-2033

Find On: PubMed — Wikipedia — Google

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) -1.36 -8.07 -131.56 5 11 -2 193 465.513 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLR1-1-E Folate Receptor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
PUR2-1-E GAR Transformylase (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.34 Binding ≤ 10μM
Z80064-1-O CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other Other 3 0.38 Functional ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 4 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLR1_HUMAN P15328 Folate Receptor Alpha, Human 0.1 0.45 Binding ≤ 1μM
PUR2_HUMAN P22102 GAR Transformylase, Human 28 0.34 Binding ≤ 1μM
FOLR1_HUMAN P15328 Folate Receptor Alpha, Human 0.1 0.45 Binding ≤ 10μM
PUR2_HUMAN P22102 GAR Transformylase, Human 28 0.34 Binding ≤ 10μM
Z80064 Z80064 CCRF-CEM (T-cell Leukemia) 2.9 0.39 Functional ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 1400 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

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

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