UCSF

ZINC03954010

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 27 No

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) 3.15 -6.51 -52.22 1 6 -1 102 377.401 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTPRA-2-E Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 0.26 Binding ≤ 10μM
PTPRB-1-E Receptor-type Tyrosine-protein Phosphatase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 3900 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTPRA_HUMAN P18433 Receptor-type Tyrosine-protein Phosphatase Alpha, Human 5500 0.27 Binding ≤ 10μM
PTPRB_HUMAN P23467 Receptor-type Tyrosine-protein Phosphatase Beta, Human 3900 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NCAM signaling for neurite out-growth

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