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Name | Adenosine receptor A1 |
---|---|
Species | Bos taurus (Bovine) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD |
UniProt | P28190 |
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 | CHEMBL4975 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL444550 |
---|---|
Molecular formula | C18H20IN5O4 |
IUPAC name | (2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-3-methyloxolane-3,4-diol |
Molecular weight | 497.293 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.1 |
Synonyms | 5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-3-methyl-tetrahydro-furan-3,4-diol BDBM50162479 N-(3-Iodobenzyl)-2'-methyladenosine 205171-07-9 Adenosine, N-[(3-iodophenyl)methyl]-2'-C-methyl- |
Inchi Key | FZQBZRYTXUBBLO-AXYPVASZSA-N |
Inchi ID | InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1 |
PubChem CID | 10767601 |
ChEMBL | CHEMBL444550 |
IUPHAR | N/A |
BindingDB | 50162479 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 20.0 nM | PMID9572897 | BindingDB |
Ki | 20.1 nM | PMID9572897 | ChEMBL |
Ki | 50.0 nM | PMID15743197 | BindingDB,ChEMBL |
Ki | 85.0 nM | PMID15743197 | ChEMBL |
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