UCSF

ZINC27091457

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Substance Information

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

Popular Name: 1-(benzothiophen-6-ylmethyl)-2,3-dioxo-indoline-5-carboxamide 1-(benzothiophen-6-ylmethyl)-2,3…

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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) 2.23 6.01 -27.54 2 5 0 82 336.372 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 2 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 2 0.51 Binding ≤ 1μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 2 0.51 Binding ≤ 10μM

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