UCSF

ZINC64548512

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 26 No

Popular Name: 3-[(3S)-2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl]-5-bromo-chromen-2-one 3-[(3S)-2-acetyl-3-phenyl-3,4-di…

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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) 3.69 11.23 -15.01 0 5 0 63 411.255 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERT-1-E Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic Eukaryotes 1800 0.31 Binding ≤ 10μM
DPO1-1-B Taq Polymerase 1 (cluster #1 Of 2), Bacterial Bacteria 4000 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO1_THEAQ P19821 Taq Polymerase 1, Theaq 4000 0.29 Binding ≤ 10μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 1800 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
formation of the beta-catenin:TCF transactivating complex
Telomere Extension By Telomerase

Rings

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

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