UCSF

ZINC12339629

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2008 23 No

Popular Name: IC261 IC261

Find On: PubMed — Wikipedia — Google

CAS Number: 186611-52-9

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) 3.16 6.46 -11.56 1 5 0 61 311.337 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KC1D-1-E Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.37 Binding ≤ 10μM
KC1E-1-E Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 700 0.37 Binding ≤ 1μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 600 0.38 Binding ≤ 1μM
KC1D_HUMAN P48730 Casein Kinase I Delta, Human 700 0.37 Binding ≤ 10μM
KC1E_HUMAN P49674 Casein Kinase I Epsilon, Human 600 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Circadian Clock
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
Recruitment of mitotic centrosome proteins and complexes
Regulation of PLK1 Activity at G2/M Transition
WNT mediated activation of DVL

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

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