UCSF

ZINC29050027

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 43 No

Popular Name: (2S)-2-[[2-indan-5-yloxy-9-[(4-phenylphenyl)methyl]purin-6-yl]amino]-3-phenyl-propan-1-ol (2S)-2-[[2-indan-5-yloxy-9-[(4-p…

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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) 7.72 16.69 -18.72 2 7 0 85 567.693 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ARF1-1-E ADP-ribosylation Factor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 620 0.20 Binding ≤ 10μM
Z80936-1-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other Other 500 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ARF1_HUMAN P84077 ADP-ribosylation Factor 1, Human 620 0.20 Binding ≤ 1μM
ARF1_HUMAN P84077 ADP-ribosylation Factor 1, Human 620 0.20 Binding ≤ 10μM
Z80936 Z80936 HEK293 (Embryonic Kidney Fibroblasts) 500 0.21 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Clathrin derived vesicle budding
COPI Mediated Transport
Golgi Associated Vesicle Biogenesis
Lysosome Vesicle Biogenesis
MHC class II antigen presentation
Nef Mediated CD4 Down-regulation
Synthesis of PIPs at the Golgi membrane

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

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