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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 | CHEMBL11049 |
---|---|
Molecular formula | C20H26N6O4S |
IUPAC name | 1,3-diethyl-8-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-7H-purine-2,6-dione |
Molecular weight | 446.526 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 1.9 |
Synonyms | 1-[[4-(1,3-diethyl-2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)phenyl]sulfonyl]4-methylpiperazine SCHEMBL10804248 1,3-Diethyl-8-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-3,7-dihydro-purine-2,6-dione BDBM50020973 DBKFUHXRVQFACP-UHFFFAOYSA-N |
Inchi Key | DBKFUHXRVQFACP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H26N6O4S/c1-4-25-18-16(19(27)26(5-2)20(25)28)21-17(22-18)14-6-8-15(9-7-14)31(29,30)24-12-10-23(3)11-13-24/h6-9H,4-5,10-13H2,1-3H3,(H,21,22) |
PubChem CID | 15587307 |
ChEMBL | CHEMBL11049 |
IUPHAR | N/A |
BindingDB | 50020973 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.5 nM | PMID2991519 | BindingDB,ChEMBL |
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