UCSF

ZINC00967243

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 10 Yes

Popular Name: 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione 6-amino-5-bromopyrimidine-2,4(1H…

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CAS Numbers: 6312-73-8 , [6312-73-8]

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) -0.33 -1.83 -12.14 4 5 0 92 205.999 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYPH-2-E Thymidine Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 6800 0.72 Binding ≤ 10μM
TYPH-2-B Thymidine Phosphorylase (cluster #2 Of 2), Bacterial Bacteria 800 0.85 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYPH_ECOLI P07650 Thymidine Phosphorylase, Ecoli 800 0.85 Binding ≤ 1μM
TYPH_HUMAN P19971 Thymidine Phosphorylase, Human 1600 0.81 Binding ≤ 10μM
TYPH_ECOLI P07650 Thymidine Phosphorylase, Ecoli 1600 0.81 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine catabolism
Pyrimidine salvage reactions

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

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