UCSF

ZINC04097756

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

Popular Name: Okanin Okanin

Find On: PubMed — Wikipedia — Google

CAS Number: 484-76-4

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) 1.81 -5.76 -17.02 5 6 0 118 288.255 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0742012A2 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERT-2-E Telomerase Reverse Transcriptase (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 6000 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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