UCSF

ZINC28712026

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 38 No

Popular Name: DNC007593 DNC007593

Find On: PubMed — Wikipedia — Google

Other Names:

SB-731489

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) 4.69 13.76 -54.39 3 6 1 83 536.071 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-1-E Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.33 Binding ≤ 10μM
Z80928-1-O HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other Other 903 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 1 0.33 Binding ≤ 1μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 1 0.33 Binding ≤ 10μM
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 0.46 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

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