UCSF

ZINC00057299

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 15 Yes

Popular Name: 3,5-Dibromo-L-tyrosine 3,5-Dibromo-L-tyrosine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 300-38-9 , 537-24-6 , [300-38-9]

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) 0.02 2.5 -36.76 4 4 0 88 338.983 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.21e-01 g/l DrugBank-experimental
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTPRA-1-E Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 4600 0.50 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 4600 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
NCAM signaling for neurite out-growth

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