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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
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 | CHEMBL318 |
IUPHAR | 18 |
DrugBank | N/A |
Name | CHEMBL2113603 |
---|---|
Molecular formula | C29H31N7O4 |
IUPAC name | (2S,3S,4R,5R)-5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 541.612 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 2.7 |
Synonyms | BDBM50453509 |
Inchi Key | ANZDCOZQPXKIRO-APSVEGKFSA-N |
Inchi ID | InChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)/t23-,24+,25-,29+/m0/s1 |
PubChem CID | 10370084 |
ChEMBL | CHEMBL2113603 |
IUPHAR | N/A |
BindingDB | 50453509 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Displacement | 17.0 % | PMID7996542 | ChEMBL |
Displacement | 87.0 % | PMID7996542 | ChEMBL |
Ki | 510.0 nM | PMID7996542 | BindingDB,ChEMBL |
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