UCSF

ZINC00088404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 4-[[4-(4-pyridyl)thiazol-2-yl]amino]phenol 4-[[4-(4-pyridyl)thiazol-2-yl]am…

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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) 2.89 -2.87 -9.1 2 4 0 58 269.329 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERA-1-E Transitional Endoplasmic Reticulum ATPase (cluster #1 Of 1), Eukaryotic Eukaryotes 290 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 290 0.48 Binding ≤ 1μM
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 290 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hedgehog ligand biogenesis
Hh ligand biogenesis disease
HSF1 activation

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

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