UCSF

ZINC13521891

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 15 Yes

Popular Name: 3-hydroxy-N-1,3-thiazol-2-ylpyridine-2-carboxamide 3-hydroxy-N-1,3-thiazol-2-ylpyri…

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CAS Number: 1281693-76-2

Other Names:

MFCD12808008

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) 0.83 2.85 -56.8 1 5 -1 78 220.233 2 ↓
Hi High (pH 8-9.5) 0.90 0.59 -13.58 2 5 0 83 221.241 2 ↓
Mid Mid (pH 6-8) 0.83 3.32 -47.36 2 5 0 79 221.241 2 ↓
Mid Mid (pH 6-8) 0.83 1.84 -14.74 2 5 0 75 221.241 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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 1870 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 4860 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 1870 0.53 Binding ≤ 10μM
AMPM1_YEAST Q01662 Methionine Aminopeptidase 1, Yeast 4860 0.50 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.