UCSF

ZINC60291355

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 25 No

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 4CGT_ANTMA; 5GT1_PERFR; 5GT2_PERFR; 5GT_GENTR; 5GT_VERHY; 5NTD_LUTLO; 5NTD_RHIMP; A3LT2_MOUSE; A3LT2_RAT; A4GAT_GORGO; A4GAT_HUMAN; A4GAT_MOUSE; A4GAT_PANTR; A4GAT_PONPY; A4GAT_RAT; AA5GT_DIACA; ACEA_GLUXY; ACSA1_GLUHA; ACSA1_GLUXY; ACSA2_GLUHA; AGGDS_STR ChEBI
Patent Database Links EP1731132; WO2006025859; WO2007089703 ChEBI
Reactome Database Links REACT_115554; REACT_115586; REACT_115635; REACT_115905; REACT_116000; REACT_116069; REACT_116072; REACT_118594; REACT_118657; REACT_118855; REACT_120743; REACT_120769; REACT_120770; REACT_120777; REACT_120893; REACT_120897; REACT_120923; REACT_120936; REA ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR17-1-E Uracil Nucleotide/cysteinyl Leukotriene Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1140 0.33 Binding ≤ 10μM
P2RY6-1-E Pyrimidinergic Receptor P2Y6 (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GPR17_HUMAN Q13304 Uracil Nucleotide/cysteinyl Leukotriene Receptor, Human 1140 0.33 Binding ≤ 10μM
P2RY6_HUMAN Q15077 Pyrimidinergic Receptor P2Y6, Human 100 0.39 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
A tetrasaccharide linker sequence is required for GAG synthesis
Abacavir metabolism
Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide, L
Chondroitin sulfate biosynthesis
Collagen biosynthesis and modifying enzymes
G alpha (q) signalling events
Glucuronidation
Glycogen synthesis
Glycosphingolipid metabolism
Heme degradation
HS-GAG biosynthesis
Keratan sulfate biosynthesis
Metabolism of nucleotides
Mycothiol biosynthesis
N-glycan trimming and elongation in the cis-Golgi
O-linked glycosylation of mucins
P2Y receptors
Pre-NOTCH Processing in Golgi
Pre-NOTCH Processing in the Endoplasmic Reticulum
Sialic acid metabolism
Synthesis and interconversion of nucleotide di- and triphosphates
Synthesis of glycosylphosphatidylinositol (GPI)
Trehalose biosynthesis

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
Leukotriene receptors
P2Y receptors

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

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