UCSF

ZINC02477290

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 22 No

Popular Name: 2-[[2-[(5S)-2-imino-4-keto-thiazolidin-5-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-m 2-[[2-[(5S)-2-imino-4-keto-thiaz…

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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) 0.68 3.76 -12.39 3 7 0 108 341.414 5 ↓
Hi High (pH 8-9.5) 0.55 2.51 -39.69 2 7 -1 108 340.406 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SFRP1_HUMAN Q8N474 Secreted Frizzled-related Protein 1, Human 720 0.39 Binding ≤ 1μM
SFRP1_HUMAN Q8N474 Secreted Frizzled-related Protein 1, Human 720 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
negative regulation of TCF-dependent signaling by WNT ligand antagonists

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

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