UCSF

ZINC66058795

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 29 Yes

Popular Name: 5-tert-butyl-2-(1H-indazol-5-ylcarbamoylamino)-N-(2-methoxyethyl)thiophene-3-carboxamide 5-tert-butyl-2-(1H-indazol-5-ylc…

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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) 3.64 4.7 -12.2 4 8 0 108 415.519 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KS6B1-1-E Ribosomal Protein S6 Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 7000 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KS6B1_HUMAN P23443 Ribosomal Protein S6 Kinase 1, Human 7000 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
S6K1 signalling
S6K1-mediated signalling

Rings

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

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