UCSF

ZINC49881746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 31 No

CAS Number: 120005-55-2

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) 8.23 15.68 -9.38 0 5 0 56 435.649 14

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SPHK1-1-E Sphingosine Kinase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3300 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SPHK1_HUMAN Q9NYA1 Sphingosine Kinase 1, Human 3000 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Association of TriC/CCT with target proteins during biosynthesis
Sphingolipid de novo biosynthesis
VEGFR2 mediated cell proliferation

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