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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 | CHEMBL2092779 |
---|---|
Molecular formula | C20H21F2N5O4S |
IUPAC name | (2S,3S,4R,5R)-2-[(2,4-difluorophenyl)sulfanylmethyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol |
Molecular weight | 465.476 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 2.2 |
Synonyms | BDBM50451982 |
Inchi Key | GJLUJCRJDFVKER-OFGIKRIPSA-N |
Inchi ID | InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1 |
PubChem CID | 59991900 |
ChEMBL | CHEMBL2092779 |
IUPHAR | N/A |
BindingDB | 50451982 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
Parameter | Value | Reference | Database source |
---|---|---|---|
CPA | 86.0 % | PMID15203164 | ChEMBL |
CPA | 88.0 % | PMID15203164 | ChEMBL |
Ki | 494.0 nM | PMID15203164 | BindingDB |
Ki | 5497.0 nM | PMID15203164 | BindingDB |
Ki high | 971.0 nM | PMID15203164 | ChEMBL |
Ki low | 494.0 nM | PMID15203164 | ChEMBL |
Ki low | 5497.0 nM | PMID15203164 | ChEMBL |
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