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Name | Adenosine receptor A2b |
---|---|
Species | Homo sapiens (Human) |
Gene | ADORA2B |
Synonym | adenosine receptor A2b A2BR A2B receptor A2b |
Disease | Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea [ Show all ] |
Length | 332 |
Amino acid sequence | MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL |
UniProt | P29275 |
Protein Data Bank | N/A |
GPCR-HGmod model | P29275 |
3D structure model | This predicted structure model is from GPCR-EXP P29275. |
BioLiP | N/A |
Therapeutic Target Database | T86679 |
ChEMBL | CHEMBL255 |
IUPHAR | 20 |
DrugBank | BE0000241 |
Name | I-Abopx |
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Molecular formula | C23H22IN5O5 |
IUPAC name | 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid |
Molecular weight | 575.363 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | 112533-64-9 Acetic acid, (4-(3-((4-amino-3-iodophenyl)methyl)-2,3,6,7-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)phenoxy)- NSC_163889 3-(4-amino-3-iodobenzyl)-8-[4-[[[carboxy]methyl]oxy]-phenyl]-1-propylxanthine AKOS030574951 [ Show all ] |
Inchi Key | DKJMGIXWGPEEFF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31) |
PubChem CID | 163889 |
ChEMBL | CHEMBL355370 |
IUPHAR | 446 |
BindingDB | 82558 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 30.0 nM | PMID10496952 | PDSP,BindingDB |
Ki | 39.8107 nM | PMID10496952 | IUPHAR |
Ki | 40.0 nM | PMID10496952 | PDSP,BindingDB |
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