UCSF

ZINC28396457

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 16 Yes

Popular Name: N-(5-bromothiazol-2-yl)-2-phenyl-acetamide N-(5-bromothiazol-2-yl)-2-phenyl…

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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) 2.91 6.52 -14.74 1 3 0 42 297.177 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDK5-1-E Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 900 0.53 Binding ≤ 10μM
Z104299-1-O Cyclin-dependent Kinase 2/cyclin E1 (cluster #1 Of 1), Other Other 480 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104299 Z104299 Cyclin-dependent Kinase 2/cyclin E1 480 0.55 Binding ≤ 1μM
CDK5_HUMAN Q00535 Cyclin-dependent Kinase 5, Human 900 0.53 Binding ≤ 1μM
Z104299 Z104299 Cyclin-dependent Kinase 2/cyclin E1 480 0.55 Binding ≤ 10μM
CDK5_HUMAN Q00535 Cyclin-dependent Kinase 5, Human 900 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CRMPs in Sema3A signaling
DARPP-32 events
Factors involved in megakaryocyte development and platelet production

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