Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A3
LigandBDBM21221
Substrate/Competitorn/a
Meas. Tech.ChEMBL_31833
Ki 4.3±n/a nM
Citation Jacobson, KAGao, ZGChen, ABarak, DKim, SALee, KLink, ARompaey, PVvan Calenbergh, SLiang, BT Neoceptor concept based on molecular complementarity in GPCRs: a mutant adenosine A(3) receptor with selectively enhanced affinity for amine-modified nucleosides. J Med Chem44:4125-36 (2001) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A3
Name:Adenosine receptor
Synonyms:A3 adenosine receptor (hA3) | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM21221
NameBDBM21221
Synonyms:(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 2-Cl-IB-MECA | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | C-IBzA-MU | C1-IB-MECA | CHEMBL431733 | CI-IB-MECA | Cl-IB-MECA
TypeSmall organic molecule
Emp. Form.C18H18ClIN6O4
Mol. Mass.544.731
SMILESCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a