UCSF

ZINC00440786

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 No

Popular Name: 4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]phenol 4-[[4-(3-nitrophenyl)thiazol-2-y…

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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) 4.11 -1.55 -13.99 2 6 0 90 313.338 4 ↓

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 760 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 760 0.39 Binding ≤ 1μM
TERA_HUMAN P55072 Transitional Endoplasmic Reticulum ATPase, Human 760 0.39 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.