UCSF

ZINC26258161

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 33 Yes

Popular Name: (2S)-2-[[4-[2-[(5S,6R)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropyrido[6,5-d]pyrimidin-6-yl]ethy (2S)-2-[[4-[2-[(5S,6R)-2-amino-4…

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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) -0.79 5.71 -138.56 5 11 -2 193 455.471 9 ↓
Lo Low (pH 4.5-6) -0.79 4.59 -84.66 6 11 -1 190 456.479 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PUR2-1-E GAR Transformylase (cluster #1 Of 1), Eukaryotic Eukaryotes 720 0.26 Binding ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 490 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PUR2_MOUSE Q64737 GAR Transformylase, Mouse 720 0.26 Binding ≤ 1μM
PUR2_MOUSE Q64737 GAR Transformylase, Mouse 720 0.26 Binding ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 490 0.27 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

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