UCSF

ZINC03875881

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 21 No

Popular Name: 5-Fluorodeoxyuridine monophosphate 5-Fluorodeoxyuridine monophosphate

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CAS Number: 103226-10-4

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) -2.38 -5.34 -150.06 2 10 -2 156 324.157 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYSY-1-E Thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 20 0.51 Binding ≤ 10μM
THYX-1-B Thymidylate Synthase ThyX (cluster #1 Of 1), Bacterial Bacteria 290 0.44 Binding ≤ 10μM
TYSY-1-B Thymidylate Synthase (cluster #1 Of 1), Bacterial Bacteria 570 0.42 Binding ≤ 10μM
Z50362-1-O Lactobacillus Casei (cluster #1 Of 1), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYSY_MYCTU P67044 Thymidylate Synthase, Myctu 570 0.42 Binding ≤ 1μM
TYSY_MOUSE P07607 Thymidylate Synthase, Mouse 10 0.53 Binding ≤ 1μM
THYX_MYCTU P66930 Thymidylate Synthase ThyX, Myctu 290 0.44 Binding ≤ 1μM
TYSY_MYCTU P67044 Thymidylate Synthase, Myctu 570 0.42 Binding ≤ 10μM
TYSY_MOUSE P07607 Thymidylate Synthase, Mouse 10 0.53 Binding ≤ 10μM
THYX_MYCTU P66930 Thymidylate Synthase ThyX, Myctu 290 0.44 Binding ≤ 10μM
Z50362 Z50362 Lactobacillus Casei 0.1 0.67 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Pyrimidine biosynthesis

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