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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 | BDBM50119134 |
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Molecular formula | C17H25N7O4 |
IUPAC name | (2R,3R,4S,5R)-2-[6-amino-2-(cyclohexylmethyldiazenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 391.432 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 4 |
XlogP | 1.7 |
Synonyms | (2R,3R,4S,5R)-2-(6-Amino-2-{N''-[1-cyclohexyl-meth-(Z)-ylidene]-hydrazino}-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol BDBM50364045 |
Inchi Key | FLKLBEIFDXKPBA-XNIJJKJLSA-N |
Inchi ID | InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1 |
PubChem CID | 56618357 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50119134, 50364045 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <100000.0 nM | PMID24164628 | BindingDB |
Ki | <10000.0 nM | PMID23245803 | BindingDB |
Ki | 430000.0 nM | PMID23245803 | BindingDB |
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