UCSF

ZINC28112619

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 13 Yes

Popular Name: N-thiazol-2-ylthiazole-4-carboxamide N-thiazol-2-ylthiazole-4-carboxa…

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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) 1.05 2.25 -13.43 1 4 0 55 211.271 2 ↓
Hi High (pH 8-9.5) 1.12 1.06 -47.25 0 4 -1 61 210.263 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 110 0.75 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 2260 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 110 0.75 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 110 0.75 Binding ≤ 10μM
AMPM1_YEAST Q01662 Methionine Aminopeptidase 1, Yeast 2260 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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

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