UCSF

ZINC04262273

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Popular Name: DL-2-Aminotetralin-2-carboxylic acid DL-2-Aminotetralin-2-carboxylic …

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104974-44-9 , 1071694-24-0 , 372143-98-1 , 6331-63-1 , 74444-77-2

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) -0.64 3.98 -34.68 3 3 0 68 191.23 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 303 - 313 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LAT1-1-E L-type Amino Acid Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.51 Binding ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 5000 0.53 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LAT1_RAT Q63016 L-type Amino Acid Transporter 1, Rat 7700 0.51 Binding ≤ 10μM
Z80193 Z80193 L1210 (Lymphocytic Leukemia Cells) 5000 0.53 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amino acid transport across the plasma membrane
Basigin interactions

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