UCSF

ZINC43208321

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 38 No

Popular Name: VER-155008 VER-155008

Find On: PubMed — Wikipedia — Google

CAS Number: 1134156-31-2

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) 3.97 7.77 -18.7 5 11 0 164 556.41 8 ↓
Mid Mid (pH 6-8) 3.97 8.23 -47.72 6 11 1 166 557.418 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRP78-1-E 78 KDa Glucose-regulated Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRP78_HUMAN P11021 78 KDa Glucose-regulated Protein, Human 200 0.25 Binding ≤ 1μM
GRP78_HUMAN P11021 78 KDa Glucose-regulated Protein, Human 200 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Antigen Presentation: Folding, assembly and peptide loading of class I MHC
ATF6-alpha activates chaperone genes
ATF6-alpha activates chaperones
IRE1alpha activates chaperones
PERK regulates gene expression
Platelet degranulation

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

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