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Name | Adenosine receptor A2b |
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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 | CHEMBL3093310 |
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Molecular formula | C19H19N5O2 |
IUPAC name | 9-benzyl-1-methyl-3-prop-2-ynyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione |
Molecular weight | 349.394 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 1.7 |
Synonyms | 9-Benzyl-1-methyl-3-(2-propynyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione |
Inchi Key | AXFIBHMJKBPZTM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H19N5O2/c1-3-10-24-17(25)15-16(21(2)19(24)26)20-18-22(11-7-12-23(15)18)13-14-8-5-4-6-9-14/h1,4-6,8-9H,7,10-13H2,2H3 |
PubChem CID | 72697652 |
ChEMBL | CHEMBL3093310 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3520.0 nM | PMID24139167 | ChEMBL |
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