You can:
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 | CHEMBL608020 |
---|---|
Molecular formula | C18H22N6O3S2 |
IUPAC name | (3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(1,3-thiazol-2-ylsulfanylmethyl)oxolane-3,4-diol |
Molecular weight | 434.533 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 2.6 |
Synonyms | BDBM50451996 |
Inchi Key | AGMGBBJIURGCRA-IKYDMHQPSA-N |
Inchi ID | InChI=1S/C18H22N6O3S2/c25-13-11(7-29-18-19-5-6-28-18)27-17(14(13)26)24-9-22-12-15(20-8-21-16(12)24)23-10-3-1-2-4-10/h5-6,8-11,13-14,17,25-26H,1-4,7H2,(H,20,21,23)/t11-,13-,14-,17?/m1/s1 |
PubChem CID | 46875615 |
ChEMBL | CHEMBL608020 |
IUPHAR | N/A |
BindingDB | 50451996 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
CPA | 105.0 % | PMID15203164 | ChEMBL |
Ki | 166.0 nM | PMID15203164 | BindingDB |
Ki high | 0.93 nM | PMID15203164 | ChEMBL |
Ki low | 166.0 nM | PMID15203164 | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218