UCSF

ZINC40410832

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 28 No

Popular Name: 2-(2-((2-((4-(tert-Butyl)benzyl)sulfonyl)acetyl)imino)-3-hydroxy-2,3-dihydrothiazol-4-yl)acetic acid 2-(2-((2-((4-(tert-Butyl)benzyl)…

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CAS Number: 1056651-96-7

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) 3.21 6.15 -130.6 0 8 -2 132 424.5 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-1-E Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 3 0.43 Binding ≤ 1μM
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 3 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha

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

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