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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 | CHEMBL38304 |
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Molecular formula | C28H32N6O4 |
IUPAC name | 8-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-1-butyl-3,7-dihydropurine-2,6-dione |
Molecular weight | 516.602 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | 8-{4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethoxy]-phenyl}-1-butyl-3,7-dihydro-purine-2,6-dione BDBM50110992 LS-192550 |
Inchi Key | AARZBDDJPFYPSG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37) |
PubChem CID | 10075248 |
ChEMBL | CHEMBL38304 |
IUPHAR | N/A |
BindingDB | 50110992 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1.3 nM | PMID11906291 | BindingDB,ChEMBL |
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