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Name | Adenosine receptor A1 |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD |
UniProt | P47745 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2304404 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL131175 |
---|---|
Molecular formula | C29H34N6O4 |
IUPAC name | (2R,3R,4S,5R)-2-[2-(cyclopentylamino)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
Molecular weight | 530.629 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 5 |
XlogP | 4.6 |
Synonyms | Adenosine, 2-(cyclopentylamino)-N-(2,2-diphenylethyl)- 266688-90-8 DTXSID60658389 AKOS030575427 (2R,3R,4S,5R)-2-[2-Cyclopentylamino-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol [ Show all ] |
Inchi Key | BEWLOOLKMOTCKY-ZYWWQZICSA-N |
Inchi ID | InChI=1S/C29H34N6O4/c36-16-22-24(37)25(38)28(39-22)35-17-31-23-26(33-29(34-27(23)35)32-20-13-7-8-14-20)30-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,17,20-22,24-25,28,36-38H,7-8,13-16H2,(H2,30,32,33,34)/t22-,24-,25-,28-/m1/s1 |
PubChem CID | 44352988 |
ChEMBL | CHEMBL131175 |
IUPHAR | N/A |
BindingDB | 50085673 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | <612.0 nM | PMID10714510 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218