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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 | CHEMBL399306 |
---|---|
Molecular formula | C24H30N6O4S |
IUPAC name | O-[[(2R,3R,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl] N-benzylcarbamothioate |
Molecular weight | 498.602 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.2 |
Synonyms | N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylthiocarbamoyl-beta-D-ribofuranosyl)adenine BDBM50224785 |
Inchi Key | GGCZMVXIEBHMTD-PDKZGUECSA-N |
Inchi ID | InChI=1S/C24H30N6O4S/c1-24(32)19(31)17(12-33-23(35)25-11-15-7-3-2-4-8-15)34-22(24)30-14-28-18-20(26-13-27-21(18)30)29-16-9-5-6-10-16/h2-4,7-8,13-14,16-17,19,22,31-32H,5-6,9-12H2,1H3,(H,25,35)(H,26,27,29)/t17-,19-,22-,24-/m1/s1 |
PubChem CID | 44447518 |
ChEMBL | CHEMBL399306 |
IUPHAR | N/A |
BindingDB | 50224785 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1026.0 nM | PMID17933541 | BindingDB |
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