UCSF

ZINC17967716

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 28 No

Popular Name: 4-acetyl-3-hydroxy-5-(4-hydroxyphenyl)-1-[2-(1H-indol-3-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 4-acetyl-3-hydroxy-5-(4-hydroxyp…

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Other Names:

MFCD04092506

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) 2.25 7.53 -59.24 2 6 -1 96 375.404 5 ↓
Lo Low (pH 4.5-6) 2.25 6.62 -16.78 3 6 0 94 376.412 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 2200 0.28 Binding ≤ 10μM

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

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