Ki Summary

Reaction Details

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Target

Adenosine receptor A3

Ligand

BDBM50163020

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_833205 (CHEMBL2067496)

0.290000±n/a nM

Citation

Tosh, DK; Deflorian, F; Phan, K; Gao, ZG; Wan, TC; Gizewski, E; Auchampach, JA; Jacobson, KA Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. J Med Chem55:4847-60 (2012) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Adenosine receptor A3

Name:

Adenosine receptor A3

Synonyms:

A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

36197.32

Organism:

Homo sapiens (Human)

Description:

P0DMS8

Residue:

318

Sequence:

MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIA
VGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKR
VTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYF
SFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFA
LSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKAC
VVCHPSDSLDTSIEKNSE

BDBM50163020

n/a

Name

BDBM50163020

Synonyms:

(1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide | (1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide | 1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide | CHEMBL175543

Type

Small organic molecule

Emp. Form.

C20H20Cl2N6O3

Mol. Mass.

463.317

SMILES

CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r|

Structure